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[
"Ga",
"Na",
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] | 8 | A2BC | GaNaTa2 | Na2 Ta4 Ga2 | 3 | [
1,
1,
1
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"Na",
"Na",
"Ga",
"Ga",
"Ta",
"Ta",
"Ta",
"Ta"
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] | -0.000005 | 6.280991 | pbe | true | 3ca241e57f41b9398c473d693185d73e_122_Na2Ta4Ga2 |
[
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] | 5 | A2BCD | CrRbReZn2 | Rb1 Zn2 Cr1 Re1 | 4 | [
1,
1,
1
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] | 2.722483 | 4.088141 | pbe | true | 863fadd176110b3b42860c609b525d10_123_Rb1Zn2Cr1Re1 |
[
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"Ge",
"O",
"S"
] | 12 | A8B2CD | CsGeO8S2 | Cs1 Ge1 S2 O8 | 4 | [
1,
1,
1
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0,
0
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"Cs",
"Ge",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
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-0.00155167,
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] | 0 | 2.605675 | pbe | true | eef7d309241ab7e8734acd72dbf2a1e9_166_Cs1Ge1S2O8 |
[
"Dy",
"Hg",
"S",
"Se"
] | 12 | A6B3C2D | Dy6HgS2Se3 | Dy6 Hg1 Se3 S2 | 4 | [
1,
1,
1
] | 3 | [
[
3.97254066,
0,
0
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Hg",
"Se",
"Se",
"Se",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.5,
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0.16666666666666666,
0.25
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0
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[
0,
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[
0,
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] | -65.720226 | [
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0,
0,
0,
0,
0,
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0
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0,
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] | -0.000012 | 5.944368 | pbe | true | 4b2b08aa0110fff6869499980b66c1b2_12_Dy6Hg1Se3S2 |
[
"Ga",
"Sn",
"Tc"
] | 4 | A2BC | Ga2SnTc | Ga2 Tc1 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
4.24370601,
0,
0
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[
2.121853,
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0
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"Sn",
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"Ga",
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] | -19.158521 | [
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0,
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0,
0,
0
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] | 0.00046 | 2.834914 | pbe | true | 8f1f24c1e60d5e718fad5e6a7513e76c_166_Ga2Tc1Sn1 |
[
"Hg",
"K",
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] | 4 | A2BC | Hg2KTi | K1 Ti1 Hg2 | 3 | [
1,
1,
1
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0,
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3.68310141,
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"K",
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] | -0.000301 | 5.357142 | pbe | true | e8cfd0c04cea9a50c25c5c60f1dba258_225_K1Ti1Hg2 |
[
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"Th",
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1,
1,
1
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[
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0,
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0,
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] | 0.000032 | 15.770306 | pbe | true | a4b34547c2d629dc5b24a4396068be96_193_Th6Zr4Sb6 |
[
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"Tb"
] | 12 | A3B2C | La3Pr2Tb | La6 Tb2 Pr4 | 3 | [
1,
1,
1
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3.48513155,
0,
0
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[
0,
6.9871882,
0
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0,
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}] | [
"La",
"La",
"La",
"La",
"La",
"La",
"Tb",
"Tb",
"Pr",
"Pr",
"Pr",
"Pr"
] | 2023-11-16 06:57:59 | [
0.5,
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0.16666666666666666
] | [
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[
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[
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] | -0.000029 | 20.907558 | pbe | true | 26faa31b653b7bf344342314858329b0_58_La6Tb2Pr4 |
[
"Cl",
"Rb",
"Sc"
] | 4 | A2BC | Cl2RbSc | Rb1 Sc1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.71843762,
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"Sc",
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"Cl",
"Cl"
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] | 1.989561 | 3.478527 | pbe | true | 881c292304582bc12c35c51aa57c45e1_225_Rb1Sc1Cl2 |
[
"Cr",
"K",
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"Sc"
] | 12 | A6B3C2D | Cr2K3S6Sc | K3 Sc1 Cr2 S6 | 4 | [
1,
1,
1
] | 3 | [
[
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"K",
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"K",
"Sc",
"Cr",
"Cr",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
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[
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] | 5.999876 | -0.001201 | pbe | true | 561146c1ac13005e957676ab117581df_12_K3Sc1Cr2S6 |
[
"Cr",
"Mo",
"O",
"Rb"
] | 12 | A8B2CD | Cr2MoO8Rb | Rb1 Cr2 Mo1 O8 | 4 | [
1,
1,
1
] | 3 | [
[
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Rb",
"Cr",
"Cr",
"Mo",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
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[
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] | 3 | 0.298262 | pbe | true | af775b676b32c98403ba9408208b78c1_12_Rb1Cr2Mo1O8 |
[
"Co",
"H",
"Zr"
] | 12 | A4BC | CoHZr4 | Zr8 Co2 H2 | 3 | [
1,
1,
1
] | 3 | [
[
6.3558755,
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2.03913385
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}] | [
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"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"Co",
"Co",
"H",
"H"
] | 2023-11-16 06:57:59 | [
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0,
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[
0,
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]
] | -0.000003 | 16.477602 | pbe | true | 7fd3a2d5b82ab9f1f8f5cbb811f050fb_141_Zr8Co2H2 |
[
"Cu",
"I",
"Se"
] | 18 | A6B2C | Cu2I6Se | Cu4 Se2 I12 | 3 | [
1,
1,
1
] | 3 | [
[
6.29765235,
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
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"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
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[
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] | 0 | 0.163947 | pbe | true | e8a768e2aefe5744cb593a80bde44408_15_Cu4Se2I12 |
[
"Dy",
"In",
"Pr"
] | 11 | A7B2C2 | Dy2In7Pr2 | Pr2 Dy2 In7 | 3 | [
1,
1,
1
] | 3 | [
[
7.74429131,
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[
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] | agm003325369 | [
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}] | [
"Pr",
"Pr",
"Dy",
"Dy",
"In",
"In",
"In",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
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0.18181818181818182
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[
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[
0.05315501,
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] | -37.940033 | [
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[
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[
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] | -0 | 6.858446 | pbe | true | 3ed67afa9030085186444874b87bd420_65_Pr2Dy2In7 |
[
"Hg",
"O",
"P",
"V"
] | 5 | A2BCD | HgO2PV | V1 Hg1 P1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
4.12912905,
0,
0
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[
0,
4.12912905,
0
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[
0,
0,
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"Hg",
"O",
"O",
"V"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
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[
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[
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2.74
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[
0,
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[
0,
0,
0
]
] | 2.231259 | 6.042647 | pbe | true | 0d05f805a24af676635f7e0022905857_123_V1Hg1P1O2 |
[
"Gd",
"Ir",
"Sn"
] | 4 | A2BC | Gd2IrSn | Gd2 Sn1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
5.1348756,
0,
0
],
[
2.5674378,
4.44693271,
0
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[
2.5674378,
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]
] | agm001098746 | [
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] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Gd",
"Gd",
"Ir",
"Sn"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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[
0,
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[
0,
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] | -43.352176 | [
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[
0,
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[
0,
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[
0,
0,
0
]
] | -13.969605 | 3.2868 | pbe | true | 3d4908822c2ca5d69c85c3be63ab3e9a_225_Gd2Sn1Ir1 |
[
"K",
"Rb",
"S",
"U"
] | 12 | A6B3C2D | K2Rb3S6U | K2 Rb3 U1 S6 | 4 | [
1,
1,
1
] | 3 | [
[
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0.0321262,
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"K",
"K",
"Rb",
"Rb",
"Rb",
"U",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.25,
0.5,
0.08333333333333333
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[
0.00784577,
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0.004,
0.004,
-0.199,
0.124,
0.14,
0.124,
0.124,
0.14,
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[
-0.0025434,
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]
] | 1.155094 | 12.057707 | pbe | true | d87bbd3cec64b2078b7761c1738815f7_12_K2Rb3U1S6 |
[
"La",
"P",
"S",
"Tb"
] | 12 | A8B2CD | LaP2S8Tb | La1 Tb1 P2 S8 | 4 | [
1,
1,
1
] | 3 | [
[
6.61493668,
0,
0
],
[
-3.30746834,
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0
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[
0,
0,
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]
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[
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"La",
"Tb",
"P",
"P",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.16666666666666666,
0.6666666666666666,
0.08333333333333333
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[
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0,
0
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[
0,
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0
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[
0,
0,
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]
] | -63.469532 | [
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0,
0,
0,
0,
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[
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[
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[
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[
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[
0,
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[
-0.00015972,
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]
] | 0 | 0.540319 | pbe | true | c44b5b43a42e1117d3b6fab75be5924d_164_La1Tb1P2S8 |
[
"O",
"P",
"Si",
"Tc"
] | 5 | A2BCD | O2PSiTc | Si1 Tc1 P1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.31991047,
0,
0
],
[
0,
3.31991047,
0
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[
0,
0,
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]
] | agm001755229 | [
[
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[
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[
0,
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[
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"Si",
"Tc",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
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[
0,
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[
0,
0,
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] | -34.648293 | [
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0.552,
0.008,
0.008
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0,
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0.640366 | 2.468639 | pbe | true | 1bda1d2acbbc53d70a14bafcad58c473_123_Si1Tc1P1O2 |
[
"Na",
"Pd",
"Sb"
] | 12 | A3B2C | NaPd3Sb2 | Na2 Sb4 Pd6 | 3 | [
1,
1,
1
] | 3 | [
[
4.20640351,
0,
0
],
[
-2.10320176,
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[
0,
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] | agm003411048 | [
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[
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[
2.103201732115491,
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]
] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Na",
"Na",
"Sb",
"Sb",
"Sb",
"Sb",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
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[
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],
[
0,
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],
[
0,
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] | -55.032951 | [
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0,
0,
0,
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] | [
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[
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[
0,
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[
0,
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]
] | -0 | 4.691818 | pbe | true | c4dc4fe691bcc1c78e8440b12581c970_12_Na2Sb4Pd6 |
[
"As",
"Ba",
"Cd",
"Ce"
] | 12 | A6B3C2D | As6Ba3CdCe2 | Ba3 Ce2 Cd1 As6 | 4 | [
1,
1,
1
] | 3 | [
[
7.58980633,
0.02858985,
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[
-3.7682923,
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[
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]
] | agm004635007 | [
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}] | [
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"Ba",
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"Ce",
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"As",
"As",
"As",
"As",
"As"
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] | -0.000162 | 16.650251 | pbe | true | 238150b286794fa8c89752ab47e97141_12_Ba3Ce2Cd1As6 |
[
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1,
1,
1
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"Ca",
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"Mn",
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"Pd",
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] | 8.991989 | 4.182732 | pbe | true | 38331645dd4b3dc435ac1f295bfce53b_122_Ca2Mn2Pd4 |
[
"Co",
"Ni",
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1,
1,
1
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0,
0
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[
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"V",
"Co",
"Co",
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"Ni",
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] | 2.400389 | 9.091893 | pbe | true | 005fe9a397a56771fa8b76a75a21b657_166_V1Co2Ni4 |
[
"F",
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1,
1,
1
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0
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"Te",
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"Pb",
"Pb",
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[
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] | -0 | -0.000079 | pbe | true | ebfa7837880b1dda9d2d3bcce7ff4239_8_Te2Pb4F4 |
[
"Ga",
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"O",
"Ti"
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1,
1,
1
] | 3 | [
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"Nd",
"Nd",
"O",
"O",
"O",
"O",
"O",
"O",
"Ga",
"Ti"
] | 2023-11-16 06:57:59 | [
0.1,
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0.6,
0.1
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[
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[
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]
] | 1.002782 | 2.676549 | pbe | true | 8e09cf887e09987a8a9fd0a50fd8c0bf_2_Nd2Ti1Ga1O6 |
[
"Hg",
"Na",
"Sr",
"Tl"
] | 4 | ABCD | HgNaSrTl | Na1 Sr1 Tl1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.54319441,
0,
0
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[
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[
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"Sr",
"Tl",
"Hg",
"Na"
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0.25
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[
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] | -0.000022 | 2.845927 | pbe | true | cfcfa660917c5dafbe1e9e22c978e3a5_216_Na1Sr1Tl1Hg1 |
[
"Br",
"F",
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1,
1,
1
] | 3 | [
[
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0,
0
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[
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}] | [
"Sn",
"Sn",
"Sn",
"Sn",
"Br",
"Br",
"Br",
"Br",
"F",
"F"
] | 2023-11-16 06:57:59 | [
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0.2,
0.4
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[
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] | -36.468691 | [
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[
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[
0,
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] | 0 | -0.021518 | pbe | true | acbc2c3d178556de204dac9b414b615c_12_Sn4Br4F2 |
[
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"Pd",
"Pu"
] | 7 | A3B2C2 | Ga3Pd2Pu2 | Pu2 Ga3 Pd2 | 3 | [
1,
1,
1
] | 3 | [
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3.44780743,
0,
0
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[
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] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Pu",
"Pu",
"Ga",
"Ga",
"Ga",
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] | 2023-11-16 06:57:59 | [
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] | 0.943285 | 8.470349 | pbe | true | bdfb6a108c76151fab6d657ad18e13a9_12_Pu2Ga3Pd2 |
[
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1,
1,
1
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[
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"O",
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"O",
"O",
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] | 2023-11-16 06:57:59 | [
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] | 1.568206 | 15.376504 | pbe | true | efb3c9655fb728a5c53cf64a2c29f3e4_166_Zr1Pt3Pb2O12 |
[
"Li",
"Nb",
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1,
1,
1
] | 3 | [
[
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0,
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[
0,
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"Tl",
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"Nb",
"Nb",
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0,
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] | 0 | 3.438763 | pbe | true | c779b7f9ccb717707c19d6f557ed65e0_122_Li2Nb4Tl2 |
[
"Hf",
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1,
1,
1
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[
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0,
0
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[
0,
5.03278987,
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"Hf",
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] | -0 | 4.433666 | pbe | true | 46634355ba7de61d01dbd941cdb171ef_221_Hf4Pt1 |
[
"Ac",
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"Li",
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] | 5 | A2BCD | AcAlLiPd2 | Li1 Ac1 Al1 Pd2 | 4 | [
1,
1,
1
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0,
0
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0,
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[
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"Li",
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] | -0.000005 | 1.608896 | pbe | true | bc9e42af9f69a59dbef69715a601bd30_119_Li1Ac1Al1Pd2 |
[
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1,
1,
1
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[
0,
4.40280566,
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[
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"Cr",
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] | 4.463174 | 3.568744 | pbe | true | 104f2037644541147fbf7f6983b589d9_216_Cr1Sb4Te1 |
[
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1,
1,
1
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[
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"Au",
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0.5
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[
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] | 8.727823 | 3.17137 | pbe | true | b4a257912bfc5c9b84581da4df408f56_123_Ba1Cr2Au1 |
[
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1,
1,
1
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[
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[
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[
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[
0.00111911,
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[
-0.00111911,
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0.0013595
],
[
-0.00176086,
0.00140378,
0
]
] | -0.000062 | 15.081786 | pbe | true | ef7f98b003dac6aeec5e5fa8a3a5a27d_140_Tm10Bi2Au4 |
[
"Hf",
"Sn",
"Zr"
] | 4 | A2BC | Hf2SnZr | Hf2 Zr1 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
4.43466897,
0,
0
],
[
0,
4.44578477,
0
],
[
0,
0,
4.44578477
]
] | agm001234134 | [
[
0,
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[
0,
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0
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[
2.217334485,
0,
0
],
[
2.217334485,
2.222892385,
2.222892385
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"Hf",
"Hf",
"Sn",
"Zr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.1728053,
0,
0
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[
0,
4.4746237,
0
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[
0,
0,
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]
] | -33.588474 | [
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
0
]
] | 0.000002 | 3.645779 | pbe | true | 6c70f8e1c6002e8429ad045e5f32e105_123_Hf2Zr1Sn1 |
[
"Mn",
"Re",
"Ti",
"W"
] | 4 | ABCD | MnReTiW | Ti1 Mn1 Re1 W1 | 4 | [
1,
1,
1
] | 3 | [
[
4.33911727,
0,
0
],
[
2.16955864,
3.75778579,
0
],
[
2.16955864,
1.25259526,
3.54287442
]
] | agm001294002 | [
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0,
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0
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[
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1.77143721
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[
2.1695586374999998,
1.2525952624999999,
0.885718605
],
[
6.508675912500001,
3.7577857875,
2.657155815
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Re",
"Mn",
"W",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
6.9843674,
0,
0
],
[
0,
6.9843674,
0
],
[
0,
0,
6.9843674
]
] | -43.51023 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000205 | 3.192979 | pbe | true | 9ebf840e5238964791b7f9bfdb0906b4_216_Ti1Mn1Re1W1 |
[
"O",
"Pa",
"Pu"
] | 11 | A8B2C | O8PaPu2 | Pu2 Pa1 O8 | 3 | [
1,
1,
1
] | 3 | [
[
3.98942492,
0.93283069,
-0.61403832
],
[
0.28145321,
5.29744421,
-2.20293929
],
[
1.2856889,
2.05799414,
7.80370349
]
] | agm005879697 | [
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2.194336493708568,
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[
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[
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[
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5.589716084529123
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[
4.553262298808631,
6.3278230466272225,
4.81721795556662
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Pu",
"Pu",
"Pa",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.7272727272727273,
0.09090909090909091,
0.18181818181818182
] | [
[
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[
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0.7285917,
0.010936
],
[
-0.04047666,
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0.6632328
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] | -109.443096 | [
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3.183,
0,
-0.115,
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[
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[
-0.00133437,
0.00198753,
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],
[
-0.00021848,
0.00210237,
-0.00154028
]
] | 5 | 8.529785 | pbe | true | 8b1c3d520b56cbd819215e0644e4e929_1_Pu2Pa1O8 |
[
"La",
"Pb",
"Pd"
] | 3 | ABC | LaPbPd | La1 Pd1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.80116435,
0,
0
],
[
0,
4.87144595,
0
],
[
0,
-2.43572298,
4.21879595
]
] | agm001272093 | [
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0.6348764375650295,
0,
0
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2.5335121883479688,
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Pb",
"Pd",
"La"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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0
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[
0,
4.5133824,
0
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[
0,
0,
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] | -16.007297 | [
0,
0,
0
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0,
0
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[
-0.00323562,
0,
0
],
[
0.00206541,
0,
0
]
] | -0 | 0.680433 | pbe | true | 9f4ada779c10ed19f355376705196f4d_187_La1Pd1Pb1 |
[
"Al",
"Au",
"Li",
"Nd"
] | 10 | A4B3C2D | Al4Au3LiNd2 | Li1 Nd2 Al4 Au3 | 4 | [
1,
1,
1
] | 3 | [
[
4.37571333,
0,
0
],
[
0,
4.37571333,
0
],
[
0,
0,
10.65157034
]
] | agm004535499 | [
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[
2.187856665,
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[
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[
0,
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Li",
"Nd",
"Nd",
"Al",
"Al",
"Al",
"Al",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.4,
0.3,
0.1,
0.2
] | [
[
2.2839675,
0,
0
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[
0,
2.2839675,
0
],
[
0,
0,
2.2012873
]
] | -42.746431 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
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[
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[
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[
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[
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[
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[
0,
0,
0
],
[
0,
0,
0.00203405
],
[
0,
0,
-0.00203405
]
] | 0 | 5.2972 | pbe | true | 5abe408fd379760916d17a6142f6e1ca_115_Li1Nd2Al4Au3 |
[
"Al",
"B",
"H",
"Ru"
] | 9 | A6BCD | AlBH6Ru | Al1 B1 H6 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
0,
3.076343459,
3.076343459
],
[
3.076343459,
0,
3.076343459
],
[
3.076343459,
3.076343459,
0
]
] | oqmd-8528486 | [
[
0,
0,
0
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[
3.076340000000001,
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[
3.2561700000000005,
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[
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[
5.97286,
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[
1.5381700000000005,
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Al",
"B",
"H",
"H",
"H",
"H",
"H",
"H",
"Ru"
] | 2024-11-01 00:00:00 | [
0.1111111111111111,
0.1111111111111111,
0.6666666666666666,
0.1111111111111111
] | [
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15.48097686,
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0
],
[
0,
15.48097686,
0
],
[
0,
0,
15.48097686
]
] | -35.7134 | [
0,
0,
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0,
0,
0,
0,
0,
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] | [
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[
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[
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[
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[
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[
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[
0,
0.012055,
0
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[
0.012055,
0,
0
],
[
0,
0,
0
]
] | -0.000006 | null | pbe | false | 817d87e74d6d10b84131e728155ceacd_216_Al1B1H6Ru1 |
[
"Al",
"Cu",
"In",
"Pm"
] | 4 | ABCD | AlCuInPm | Pm1 Al1 In1 Cu1 | 4 | [
1,
1,
1
] | 3 | [
[
4.9024723,
0,
0
],
[
2.45123615,
4.24566555,
0
],
[
2.45123615,
1.41522185,
4.00285187
]
] | agm001345852 | [
[
2.45123615,
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1.0007129675
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[
0,
0,
0
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[
4.9024723,
2.8304437,
2.001425935
],
[
7.35370845,
4.24566555,
3.0021389024999996
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"In",
"Al",
"Cu",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0,
0
],
[
0,
-2.0888987,
0
],
[
0,
0,
-2.0888987
]
] | -16.151513 | [
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0,
0,
0
] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 1.140773 | pbe | true | a70c40c598e18e7ff6ebf2681f4b5d62_216_Pm1Al1In1Cu1 |
[
"As",
"Au",
"Br",
"Hf"
] | 5 | A2BCD | AsAuBr2Hf | Hf1 As1 Au1 Br2 | 4 | [
1,
1,
1
] | 3 | [
[
5.13396473,
0,
0
],
[
0,
5.13396473,
0
],
[
0,
0,
5.40024126
]
] | agm001680798 | [
[
0,
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0
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[
0,
0,
2.70012063
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[
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2.70012063
],
[
0,
2.566982365,
0
],
[
2.566982365,
0,
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]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Hf",
"As",
"Au",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
1.6560764,
0,
0
],
[
0,
1.6560764,
0
],
[
0,
0,
1.3240185
]
] | -21.656719 | [
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.912125 | pbe | true | eedbfbdcfb58838e8b03d19d10e81e73_123_Hf1As1Au1Br2 |
[
"P",
"Sc"
] | 6 | AB | PSc | Sc3 P3 | 2 | [
1,
1,
1
] | 3 | [
[
15,
0,
0
],
[
-7.5,
12.99038106,
0
],
[
0,
0,
14.3911182
]
] | agm1000018506 | [
[
3.75,
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[
3.75,
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14.351891753477531
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[
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[
3.75,
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],
[
3.75,
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]
] | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"P",
"P",
"Sc",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
-0.02315953,
0,
0
],
[
0,
-0.02315953,
0
],
[
0,
0,
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]
] | -30.268681 | [
0,
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0,
0
] | [
[
0,
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[
0,
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[
0,
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[
0,
0,
0.0001963
],
[
0,
0,
-0.0001963
],
[
0,
0,
0
]
] | -0.000004 | -0.144109 | pbe | true | 7182d7fedf93191182b8d3954e7db325_191_Sc3P3 |
[
"Nd",
"Ni",
"Th"
] | 9 | A6B2C | Nd2Ni6Th | Nd2 Th1 Ni6 | 3 | [
1,
1,
1
] | 3 | [
[
3.70379545,
0,
0
],
[
1.85189772,
7.38805037,
1.51744534
],
[
1.85189772,
2.94587652,
6.94317939
]
] | agm003505724 | [
[
5.555693168484783,
6.732777511709245,
5.512280522545394
],
[
1.8518977215152168,
3.601149378290756,
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[
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[
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[
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[
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[
3.7037972984271263,
5.055264655944547,
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] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Nd",
"Nd",
"Th",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.6666666666666666,
0.1111111111111111
] | [
[
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0,
0
],
[
0,
-5.815867,
0.06314138
],
[
0,
0.06314138,
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]
] | -53.012116 | [
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0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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[
0,
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
0.00128534,
-0.00156993
],
[
0,
0.0028864,
0.00114609
]
] | 0.000001 | 8.275912 | pbe | true | ee177e033aefeb770d90a5b07877ed5d_71_Nd2Th1Ni6 |
[
"Ag",
"Ho",
"O"
] | 6 | ABC | AgHoO | Ho2 Ag2 O2 | 3 | [
1,
1,
1
] | 3 | [
[
3.8467289,
0,
0
],
[
0,
3.8467289,
0
],
[
0,
0,
7.51005358
]
] | agm001006060 | [
[
0,
0,
0
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[
1.92336445,
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0
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[
0,
1.92336445,
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[
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[
0,
1.92336445,
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[
1.92336445,
0,
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]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"O",
"O",
"Ag",
"Ag",
"Ho",
"Ho"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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0,
0
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[
0,
0.5107657,
0
],
[
0,
0,
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]
] | -37.108494 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
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[
0,
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[
0,
0,
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[
0,
0,
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],
[
0,
0,
0.00172642
]
] | 0.000002 | 0.632433 | pbe | true | 81709e1e6476c4dd8df61d0962044570_129_Ho2Ag2O2 |
[
"Gd",
"Ge",
"Y"
] | 4 | A2BC | GdGe2Y | Gd1 Y1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
4.65727536,
0,
0
],
[
2.32863768,
4.03331878,
0
],
[
2.32863768,
1.34443959,
5.23071592
]
] | agm001924328 | [
[
4.65727536,
2.6888791850000002,
2.61535796
],
[
6.985910688075943,
4.033317419626208,
3.9070355523148095
],
[
2.3286400319240568,
1.3444409503737924,
1.3236803676851905
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[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Ge",
"Ge",
"Gd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.43444,
0,
0
],
[
0,
1.43444,
0
],
[
0,
0,
1.5075727
]
] | -32.595595 | [
0.007,
-0.026,
-0.026,
6.996
] | [
[
0,
0,
0
],
[
0,
0,
-0.0037421
],
[
0,
0,
0.0037421
],
[
0,
0,
0
]
] | 7.052199 | 2.417925 | pbe | true | 25def9012cc46cf38fdfff4b9fe25d5e_166_Gd1Y1Ge2 |
[
"As",
"Ce",
"Mg"
] | 7 | A4B2C | As4Ce2Mg | Ce2 Mg1 As4 | 3 | [
1,
1,
1
] | 3 | [
[
3.97568627,
0,
0
],
[
0,
3.97568627,
0
],
[
0,
0,
10.60601067
]
] | agm003451007 | [
[
1.987843135,
0,
7.6460940152052554
],
[
0,
1.987843135,
2.9599166547947435
],
[
1.987843135,
1.987843135,
0
],
[
1.987843135,
0,
1.830732456157829
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[
0,
1.987843135,
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],
[
1.987843135,
1.987843135,
5.303005335
],
[
0,
0,
5.303005335
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Ce",
"Ce",
"Mg",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] | [
[
1.9838055,
0,
0
],
[
0,
1.9838055,
0
],
[
0,
0,
1.9614346
]
] | -38.713367 | [
0.606,
0.606,
-0.001,
-0.024,
-0.024,
-0.003,
-0.003
] | [
[
0,
0,
0.00128395
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
0.00053734
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.257159 | 10.527503 | pbe | true | 823459e167158926c939df5c4ce30bd9_115_Ce2Mg1As4 |
[
"Ba",
"Co",
"Te"
] | 4 | A2BC | BaCo2Te | Ba1 Co2 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
3.72965146,
0.02364422,
0
],
[
-0.0300276,
3.72960553,
0
],
[
0,
0,
6.80067824
]
] | agm004310718 | [
[
1.84981193,
1.876624875,
5.10050868
],
[
0,
0,
0.6056324964732929
],
[
0,
0,
2.7947066235267073
],
[
1.84981193,
1.876624875,
1.70016956
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Ba",
"Co",
"Co",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.1972297,
0.3282409,
0
],
[
0.3282409,
1.2066774,
0
],
[
0,
0,
0.6401812
]
] | -17.568939 | [
-0.033,
1.679,
1.679,
0.063
] | [
[
0,
0,
0
],
[
0,
0,
0.00093179
],
[
0,
0,
-0.00093179
],
[
0,
0,
0
]
] | 3.403583 | 6.714624 | pbe | true | ab7e88ad3c6bfe31c77b8a1846607871_123_Ba1Co2Te1 |
[
"Ho",
"Mg",
"Tm",
"Zn"
] | 4 | ABCD | HoMgTmZn | Ho1 Tm1 Mg1 Zn1 | 4 | [
1,
1,
1
] | 3 | [
[
3.53527871,
0,
0
],
[
0,
3.53527871,
0
],
[
0,
0,
7.85438192
]
] | agm005188862 | [
[
0,
0,
3.0268599688877087
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[
0,
0,
6.501119120019339
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[
1.767639355,
1.767639355,
0.8188641636807632
],
[
1.767639355,
1.767639355,
4.796090992439208
]
] | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Ho",
"Tm",
"Mg",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
0.81478775,
0,
0
],
[
0,
0.81478775,
0
],
[
0,
0,
0.8201015
]
] | -12.740701 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00045528
],
[
0,
0,
0.00372872
],
[
0,
0,
-0.0088087
],
[
0,
0,
0.0046247
]
] | 0.000153 | 3.981785 | pbe | true | 398950490ed70c484bef142d304ab571_99_Ho1Tm1Mg1Zn1 |
[
"Mg",
"P",
"Pm",
"Pt"
] | 12 | A7B2C2D | Mg2P2PmPt7 | Pm1 Mg2 P2 Pt7 | 4 | [
1,
1,
1
] | 3 | [
[
4.00129519,
0.01266649,
-0.0278291
],
[
0.01754551,
4.00127677,
-0.0278291
],
[
1.89856672,
1.89625309,
13.58981812
]
] | agm004591758 | [
[
0,
0,
0
],
[
4.38997344709752,
4.384623737881516,
5.282075425945948
],
[
1.5274339729024795,
1.5255726121184838,
8.252084494054053
],
[
3.864011178089957,
3.859302417591156,
9.990358930279731
],
[
2.0533962419100424,
2.0508939324088433,
3.54380098972027
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[
2.0094203499999996,
2.00697163,
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[
2.3656297183321793,
2.36274691509516,
5.751072939468543
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[
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[
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2.025713165443906,
2.2459720049873915
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[
2.0306270614731754,
4.028651373192246,
2.2459720049873915
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[
3.8867803585268246,
1.8815449768077537,
11.288187915012609
],
[
1.8862829712069418,
3.884483184556094,
11.288187915012609
]
] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Pm",
"Mg",
"Mg",
"P",
"P",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.08333333333333333,
0.5833333333333334
] | [
[
4.9740443,
0.01608737,
0.04103721
],
[
0.01608737,
4.9740047,
0.04098721
],
[
0.04103721,
0.0409872,
4.716431
]
] | -69.643883 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0.00987598,
0.00986395,
-0.01628312
],
[
-0.00987598,
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0.01628312
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[
-0.00154362,
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0.00194947
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[
0.00154362,
0.00154174,
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[
0,
0,
0
],
[
0.00187608,
0.0018738,
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],
[
-0.00187608,
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0.00167053
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[
-0.00072083,
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],
[
0.0002059,
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],
[
-0.0002059,
0.00072109,
0.00056728
],
[
0.00072083,
-0.00020677,
0.00056728
]
] | -0.000004 | 4.169423 | pbe | true | d02f5c0934b1303d0be0948f47018459_12_Pm1Mg2P2Pt7 |
[
"Lu",
"Te",
"Y"
] | 10 | A3BC | LuTe3Y | Y2 Lu2 Te6 | 3 | [
1,
1,
1
] | 3 | [
[
7.45689001,
0.00125128,
-0.00103069
],
[
2.50445222,
7.02421026,
-0.00094524
],
[
-3.72846276,
-0.00010732,
6.67462206
]
] | agm003152510 | [
[
4.293474942068003,
6.369856443839935,
4.290482551063904
],
[
0.5649283148227898,
6.36921573660349,
6.650349177358821
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[
0.5562617157438626,
1.1355824275708035,
6.463815122232466
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[
1.7982233270654904,
4.579175300822619,
4.478240225008369
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[
4.284069113707689,
1.1365340561846429,
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[
0.49602008322356156,
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2.1341140603615054
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[
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[
5.586792088140884,
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2.13322553454826
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[
3.041531871070319,
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6.6232315318949375
],
[
-0.6870750026562161,
2.8569308013857615,
4.318826611677477
]
] | [{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Lu",
"Lu"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.5466262,
-0.01863066,
0.01081265
],
[
-0.01863047,
0.61944443,
0.01113808
],
[
0.01081247,
0.01113868,
0.5337903
]
] | -54.43256 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00053277,
-0.00107489,
0.00221966
],
[
0.00130361,
0.00105999,
-0.00172227
],
[
0.00023394,
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[
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0.00285077
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[
0.00227739,
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[
0.00244115,
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[
-0.00209549,
0.00087842,
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[
-0.00268406,
0.00179542,
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],
[
-0.00072041,
0.00008069,
-0.00027903
],
[
0.00012005,
-0.00036001,
0.00002428
]
] | 0 | 0 | pbe | true | 5ce223248ac19c326a7764398b14ac8d_12_Y2Lu2Te6 |
[
"Al",
"Cd"
] | 6 | A5B | AlCd5 | Al1 Cd5 | 2 | [
1,
1,
1
] | 3 | [
[
1.63970285,
-7.68449808,
0
],
[
1.63970285,
7.68449808,
0
],
[
0,
0,
5.21512258
]
] | agm005420141 | [
[
1.63970285,
7.631942568111187,
0
],
[
1.63970285,
2.450726295577056,
0
],
[
1.6397028500000002,
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0
],
[
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[
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2.60756129
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Al",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.8333333333333334
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[
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0,
0
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[
0,
6.0768,
0
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[
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0,
6.756095
]
] | -7.881909 | [
0,
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0,
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[
0,
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[
0,
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0
]
] | 0 | 1.850574 | pbe | true | c82fe5ce4a7737bf274bc94eec10df9f_38_Al1Cd5 |
[
"W",
"Zr"
] | 4 | AB | WZr | Zr2 W2 | 2 | [
1,
1,
1
] | 3 | [
[
3.92793123,
0,
0
],
[
0,
3.92793123,
0
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[
0,
0,
4.92594032
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] | agm004289024 | [
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"W",
"W",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
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0,
0
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[
0,
8.433419,
0
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[
0,
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] | -41.549718 | [
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0,
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[
0,
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[
0,
0,
0
]
] | -0.000001 | 4.972609 | pbe | true | 6fa678d455e1a8a2495bc7fef038235a_123_Zr2W2 |
[
"Ru",
"Sb",
"Th"
] | 8 | A2BC | RuSbTh2 | Th4 Sb2 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
4.15510551,
0,
0
],
[
0,
6.33328877,
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[
0,
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"Th",
"Th",
"Th",
"Th",
"Sb",
"Sb",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
0,
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[
0,
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0,
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0,
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[
0,
0.00026853,
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] | -0.000003 | 6.745722 | pbe | true | 8e52533e9269b9b92496c1d060e4ec18_11_Th4Sb2Ru2 |
[
"Au",
"B",
"Ca",
"N"
] | 10 | A3B3C2D2 | Au2B2Ca3N3 | Ca3 B2 Au2 N3 | 4 | [
1,
1,
1
] | 3 | [
[
3.76545934,
0.00000442,
0.00038954
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[
0.0000045,
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"Ca",
"Ca",
"Ca",
"B",
"B",
"Au",
"Au",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.3,
0.3
] | [
[
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[
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[
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0,
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0,
0,
0,
0,
0,
0,
0
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[
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[
-0.00020351,
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0.00530665
]
] | 0.000201 | 2.781996 | pbe | true | 01a6033cd5c5a7501004c5a3fbd6bce8_139_Ca3B2Au2N3 |
[
"Mg",
"Pr",
"S"
] | 5 | A3BC | MgPr3S | Pr3 Mg1 S1 | 3 | [
1,
1,
1
] | 3 | [
[
5.49562384,
0,
0
],
[
0,
5.49562384,
0
],
[
0,
0,
5.49562384
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0
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[
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Pr",
"Pr",
"Pr",
"S",
"Mg"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
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[
0,
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[
0,
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0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000007 | 3.978093 | pbe | true | 15081eb25ef249c99aa9d5f892406ebd_221_Pr3Mg1S1 |
[
"Nd",
"Pr",
"S"
] | 15 | A8B6C | Nd6PrS8 | Pr1 Nd6 S8 | 3 | [
1,
1,
1
] | 3 | [
[
7.0403644,
0,
4.06475554
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[
2.34678881,
6.63771897,
4.06475554
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[
0,
0,
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0,
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[
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10.150417865980788
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[
3.5268054834647575,
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6.108604294019212
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
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"Nd",
"Nd",
"Nd",
"Nd",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.4,
0.06666666666666667,
0.5333333333333333
] | [
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2e-8,
0
],
[
2e-8,
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0
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[
0,
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] | -96.932531 | [
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0,
0,
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0,
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[
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[
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[
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[
-0.00039786,
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]
] | 0.000009 | 7.040634 | pbe | true | 46dfad916e21f81838c7f2e413b2f43d_225_Pr1Nd6S8 |
[
"C",
"Se",
"Sm",
"Tl"
] | 16 | A8B4C3D | CSe3Sm8Tl4 | Sm8 Tl4 C1 Se3 | 4 | [
1,
1,
1
] | 3 | [
[
8.04403358,
0,
0
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[
0,
9.20275113,
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[
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[
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
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"Sm",
"Sm",
"Sm",
"Tl",
"Tl",
"Tl",
"Tl",
"C",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.0625,
0.1875,
0.5,
0.25
] | [
[
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[
0,
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[
0,
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] | -81.095475 | [
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0,
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0,
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[
0,
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[
0,
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0
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] | -0.000003 | 7.329449 | pbe | true | bc2ad4ec58d67d545057c2901f0fa639_166_Sm8Tl4C1Se3 |
[
"Cd",
"K",
"Sn"
] | 17 | A12B4C | Cd12KSn4 | K1 Cd12 Sn4 | 3 | [
1,
1,
1
] | 3 | [
[
8.74834118,
0,
0
],
[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}] | [
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"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
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[
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[
0,
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]
] | 0 | 12.904313 | pbe | true | 9036c966e14243e100cd045a6f11de7b_204_K1Cd12Sn4 |
[
"Al",
"Pd",
"Te"
] | 6 | ABC | AlPdTe | Al2 Te2 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.51450501,
0,
0
],
[
-1.7572525,
3.04395554,
0
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[
0,
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11.47105489
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] | [{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Pd",
"Pd",
"Te",
"Te",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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[
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] | -0.000003 | 1.125008 | pbe | true | d32ae0270fb1c83a5f93cbdf83a9ef76_187_Al2Te2Pd2 |
[
"F",
"Mg",
"O"
] | 5 | A2B2C | F2MgO2 | F2 Mg1 O2 | 3 | [
1,
1,
1
] | 3 | [
[
-1.96182858,
1.96182858,
3.109009902
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1.96182858,
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[
1.96182858,
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]
] | oqmd-6293710 | [
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"F",
"F",
"Mg",
"O",
"O"
] | 2024-11-01 00:00:00 | [
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0.2,
0.4
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[
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120.21564853,
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[
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[
0,
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0
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] | null | null | pbe | false | c7937bb208465eda40df8e99cca6b3aa_139_Mg1O2F2 |
[
"B",
"Gd",
"W"
] | 4 | A2BC | BGdW2 | Gd1 B1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
3.13164129,
0,
0
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[
1.56582064,
2.71208091,
0
],
[
1.56582064,
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] | agm002000463 | [
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[
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] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"B",
"Gd",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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[
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] | -45.00029 | [
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[
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[
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[
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] | 7.849519 | 2.127125 | pbe | true | 6e4937babfa81e8d5140ebd5dc6200a2_166_Gd1B1W2 |
[
"Gd",
"Ge",
"Tm"
] | 4 | A2BC | Gd2GeTm | Gd2 Tm1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
4.71618108,
0,
0
],
[
0,
4.66512838,
0
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[
0,
0,
4.66512838
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] | agm001246598 | [
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[
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] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Gd",
"Gd",
"Ge",
"Tm"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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[
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] | -38.61651 | [
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0.23
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[
0,
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0
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[
0,
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[
0,
0,
0
]
] | 15.097207 | 5.16507 | pbe | true | dfa108a22b9db5f3bb58a282277d2220_123_Gd2Tm1Ge1 |
[
"Hf",
"In",
"Sn"
] | 19 | A12B6C | Hf12InSn6 | Hf12 In1 Sn6 | 3 | [
1,
1,
1
] | 3 | [
[
8.15978398,
-0.97993676,
-1.17394045
],
[
-2.20566076,
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[
-2.2056608,
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] | agm003689728 | [
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Hf",
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"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"In",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.631578947368421,
0.05263157894736842,
0.3157894736842105
] | [
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[
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] | -150.777575 | [
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0,
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[
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[
0.00189701,
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]
] | -0.000002 | 18.433153 | pbe | true | aa60d82b82525a7d7dc058d14e045824_148_Hf12In1Sn6 |
[
"Hg",
"Np",
"Tl"
] | 4 | A2BC | Hg2NpTl | Np1 Tl1 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
3.29124079,
0,
0
],
[
0,
3.29124079,
0
],
[
0,
0,
9.55216689
]
] | agm001814742 | [
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0
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[
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4.776083445
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[
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0,
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}] | [
"Np",
"Tl",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
],
[
0,
7.4047437,
0
],
[
0,
0,
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]
] | -15.271152 | [
4.353,
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0.011,
0.011
] | [
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[
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[
0,
0,
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[
0,
0,
0.00481632
]
] | 4.74877 | 7.963511 | pbe | true | 24c1db9ed1a50e571863938956138860_123_Np1Tl1Hg2 |
[
"Cr",
"Pd",
"Ru"
] | 3 | ABC | CrPdRu | Cr1 Ru1 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
2.64036826,
0,
0
],
[
0,
4.35702604,
0
],
[
0,
-2.17851302,
3.77329524
]
] | agm001261871 | [
[
0.4392926950563603,
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0.4409193995376638,
0,
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[
1.7601561654059756,
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Ru",
"Pd",
"Cr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0.3333333333333333
] | [
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0
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[
0,
7.74602,
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],
[
0,
0,
7.74602
]
] | -22.861652 | [
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2.049
] | [
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0,
0
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[
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0,
0
],
[
0.00062988,
0,
0
]
] | 1.538298 | 4.193473 | pbe | true | 33be80a34ebd33554b3f43ba5818d152_187_Cr1Ru1Pd1 |
[
"Co",
"Cr",
"Li",
"Sn"
] | 4 | ABCD | CoCrLiSn | Li1 Cr1 Co1 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
4.28011354,
0,
0
],
[
2.14005677,
3.70668706,
0
],
[
2.14005677,
1.23556235,
3.49469808
]
] | agm001915242 | [
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[
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0
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[
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],
[
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}] | [
"Cr",
"Co",
"Sn",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25,
0.25
] | [
[
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0
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[
0,
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],
[
0,
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]
] | -22.578963 | [
2.621,
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0.003
] | [
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0,
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[
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[
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0,
0
],
[
0,
0,
0
]
] | 2.013621 | 5.542474 | pbe | true | f2228d24902f4c32f7dec78772258545_216_Li1Cr1Co1Sn1 |
[
"Ac",
"As",
"Ce"
] | 4 | A2BC | AcAs2Ce | Ac1 Ce1 As2 | 3 | [
1,
1,
1
] | 3 | [
[
5.30748808,
0,
0
],
[
2.65374404,
4.59641951,
0
],
[
2.65374404,
1.53213984,
4.33354587
]
] | agm001087163 | [
[
5.30748808,
3.064279675,
2.166772935
],
[
2.65374404,
1.5321398375,
1.0833864675
],
[
7.961232119999999,
4.5964195125,
3.2501594025
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}] | [
"Ac",
"As",
"As",
"Ce"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.250565,
0,
0
],
[
0,
1.250565,
0
],
[
0,
0,
1.250565
]
] | -23.706068 | [
0.039,
-0.039,
-0.039,
0.739
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.831334 | 5.658106 | pbe | true | 9b1975e58beec22dc79d3d296403dfb2_225_Ac1Ce1As2 |
[
"Ac",
"K",
"Nd"
] | 3 | ABC | AcKNd | Ac1 K1 Nd1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.338725,
4.338725
],
[
4.338725,
0,
4.338725
],
[
4.338725,
4.338725,
0
]
] | oqmd-7045394 | [
[
0,
0,
0
],
[
4.33873,
4.33873,
4.33873
],
[
2.16936,
2.16936,
2.16936
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
"Ac",
"K",
"Nd"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.60287456,
0,
0
],
[
0,
2.60287456,
0
],
[
0,
0,
2.60287456
]
] | -6.99723 | [
0.198,
0.016,
0.387
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.57144 | null | pbe | true | a9d94c5a3463d51fe4733c2a32c4c302_216_K1Ac1Nd1 |
[
"As",
"Cd",
"Si"
] | 4 | A2BC | AsCd2Si | Cd2 Si1 As1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.47077667,
3.47077667
],
[
3.47077667,
0,
3.47077667
],
[
3.47077667,
3.47077667,
0
]
] | agm002740667 | [
[
3.47077667,
3.47077667,
3.47077667
],
[
0,
0,
0
],
[
1.735388335,
1.735388335,
1.735388335
],
[
5.206165005,
5.206165005,
5.206165005
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"As",
"Si",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.5257416,
0,
0
],
[
0,
3.5257416,
0
],
[
0,
0,
3.5257416
]
] | -10.203727 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.80107 | pbe | true | c101072635a77b925d146fb46edbbb47_225_Cd2Si1As1 |
[
"Dy",
"P",
"Tl"
] | 5 | A2B2C | Dy2PTl2 | Dy2 Tl2 P1 | 3 | [
1,
1,
1
] | 3 | [
[
3.85028107,
-8e-8,
0.71884529
],
[
1.92893602,
3.37997353,
0.33909016
],
[
0.05289235,
-1.07730633,
10.38757426
]
] | agm005847925 | [
[
3.1979520148394807,
0.01818096926910119,
4.212855352049018
],
[
2.6341574251605193,
2.284486150730899,
7.232654357950981
],
[
3.650459014217653,
2.261512096745222,
1.7891316098244174
],
[
2.181650425782347,
0.04115502325477824,
9.656378100175582
],
[
0.9909141850000001,
1.1513336,
5.363332209999999
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Dy",
"Dy",
"Tl",
"Tl",
"P"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
2.6163926,
0.00835252,
-0.01237185
],
[
0.00835258,
2.8272872,
-0.04474103
],
[
-0.01237185,
-0.04474068,
2.6803517
]
] | -22.926691 | [
0,
0,
0,
0,
0
] | [
[
-0.0007152,
-0.00238567,
0.00383079
],
[
0.0007152,
0.00238567,
-0.00383079
],
[
0.0004203,
-0.00261828,
-0.00225122
],
[
-0.0004203,
0.00261828,
0.00225122
],
[
0,
0,
0
]
] | 0 | 1.754857 | pbe | true | 8ac2f60f65e88bc0e9525595c2dd622b_12_Dy2Tl2P1 |
[
"Bi",
"Co",
"Ga"
] | 10 | A2B2C | BiCo2Ga2 | Ga4 Co4 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
7.43507887,
0,
0
],
[
0,
7.43507887,
0
],
[
0,
0,
2.87805286
]
] | agm002969539 | [
[
1.1857202067099777,
4.903259641709978,
1.43902643
],
[
4.903259641709978,
6.249358663290022,
1.43902643
],
[
6.249358663290022,
2.5318192282900225,
1.43902643
],
[
2.5318192282900225,
1.1857202067099777,
1.43902643
],
[
0,
0,
0
],
[
3.717539435,
3.717539435,
0
],
[
2.768514815414895,
6.486054250414895,
0
],
[
6.486054250414895,
4.666564054585105,
0
],
[
4.666564054585105,
0.9490246195851049,
0
],
[
0.9490246195851049,
2.768514815414895,
0
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Co",
"Co",
"Co",
"Co",
"Bi",
"Bi",
"Ga",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
3.6165469,
0,
0
],
[
0,
3.6165469,
0
],
[
0,
0,
5.2371597
]
] | -46.473948 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00710078,
0.00710078,
0
],
[
0.00710078,
-0.00710078,
0
],
[
-0.00710078,
-0.00710078,
0
],
[
-0.00710078,
0.00710078,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00438713,
0.00438713,
0
],
[
0.00438713,
-0.00438713,
0
],
[
-0.00438713,
-0.00438713,
0
],
[
-0.00438713,
0.00438713,
0
]
] | 0.000001 | 7.498663 | pbe | true | f4ede5820874ecf6093d760a4d0174f5_127_Ga4Co4Bi2 |
[
"Er",
"Fe",
"Tl"
] | 3 | ABC | ErFeTl | Er1 Fe1 Tl1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.281584,
3.281584
],
[
3.281584,
0,
3.281584
],
[
3.281584,
3.281584,
0
]
] | oqmd-4236912 | [
[
1.6407900000000004,
1.6407900000000004,
1.6407900000000004
],
[
0,
0,
0
],
[
4.9223799999999995,
4.9223799999999995,
4.9223799999999995
]
] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}] | [
"Er",
"Fe",
"Tl"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.17994,
0,
0
],
[
0,
5.17994,
0
],
[
0,
0,
5.17994
]
] | -14.4138 | [
-0.223,
2.052,
-0.052
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.77005 | null | pbe | true | 259da05d20887603460d9dde6309ffaf_216_Er1Tl1Fe1 |
[
"Fe",
"Ir",
"Mo"
] | 5 | A3BC | Fe3IrMo | Fe3 Mo1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.36263225,
0,
0
],
[
0,
4.36263225,
0
],
[
0,
0,
4.36263225
]
] | agm002475185 | [
[
2.181316125,
2.181316125,
2.181316125
],
[
0,
0,
0
],
[
0,
2.181316125,
0
],
[
0,
0,
2.181316125
],
[
2.181316125,
0,
0
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Mo",
"Ir",
"Fe",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
3.7036703,
0,
0
],
[
0,
3.7036703,
0
],
[
0,
0,
3.7036703
]
] | -35.625341 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000223 | 14.943217 | pbe | true | 35c4518369332192cc7b89d9e0d09b4d_221_Fe3Mo1Ir1 |
[
"Pt",
"W",
"Zn"
] | 4 | A2BC | Pt2WZn | Zn1 Pt2 W1 | 3 | [
1,
1,
1
] | 3 | [
[
2.80711753,
0,
0
],
[
0,
4.7454409,
0
],
[
0,
0,
4.66493761
]
] | agm004258057 | [
[
0,
0,
0
],
[
1.403558765,
2.37272045,
0
],
[
1.403558765,
0,
2.332468805
],
[
0,
2.37272045,
2.332468805
]
] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Pt",
"Pt",
"W",
"Zn"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
6.8335714,
0,
0
],
[
0,
6.288408,
0
],
[
0,
0,
6.4402337
]
] | -25.996262 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000059 | 4.222988 | pbe | true | 69e4275c8edcabe533bbbb965f4d8208_47_Zn1Pt2W1 |
[
"Hf",
"Ir",
"Pb"
] | 10 | A2B2C | Hf2Ir2Pb | Hf4 Ir4 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
3.15128406,
0,
0
],
[
0,
7.85819072,
0
],
[
0,
0,
7.85819072
]
] | agm002280844 | [
[
0,
0,
0
],
[
0,
3.92909536,
3.92909536
],
[
0,
2.8856343466139776,
6.814729706613978
],
[
0,
1.0434610133860223,
2.8856343466139776
],
[
0,
6.814729706613978,
4.972556373386022
],
[
0,
4.972556373386022,
1.0434610133860223
],
[
1.57564203,
1.231328979222464,
5.160424339222464
],
[
1.57564203,
2.697766380777536,
1.231328979222464
],
[
1.57564203,
5.160424339222464,
6.626861740777535
],
[
1.57564203,
6.626861740777535,
2.697766380777536
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Pb",
"Pb",
"Ir",
"Ir",
"Ir",
"Ir",
"Hf",
"Hf",
"Hf",
"Hf"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
6.2303343,
0,
0
],
[
0,
6.1936474,
0
],
[
0,
0,
6.1936474
]
] | -89.180889 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.0013338,
-0.0013338
],
[
0,
0.0013338,
-0.0013338
],
[
0,
-0.0013338,
0.0013338
],
[
0,
0.0013338,
0.0013338
],
[
0,
0.00528424,
0.00528424
],
[
0,
-0.00528424,
0.00528424
],
[
0,
0.00528424,
-0.00528424
],
[
0,
-0.00528424,
-0.00528424
]
] | 0 | 4.168864 | pbe | true | 21474133d7ae8f643c0425b01b22873d_127_Hf4Ir4Pb2 |
[
"Ru",
"Sr",
"V"
] | 8 | A2BC | Ru2SrV | Sr2 V2 Ru4 | 3 | [
1,
1,
1
] | 3 | [
[
5.01816514,
0,
0
],
[
0,
5.01816514,
0
],
[
2.50908257,
2.50908257,
7.83314917
]
] | agm002902280 | [
[
2.5089753318109578,
1.254541285,
1.9582872925
],
[
2.509189808189042,
3.763623855,
1.9582872925
],
[
3.7636238549999996,
5.0182723781890415,
5.874861877500001
],
[
6.272706425,
5.018057901810958,
5.874861877500001
],
[
0,
0,
0
],
[
5.01816514,
2.50908257,
3.916574585
],
[
2.50908257,
2.50908257,
0
],
[
2.50908257,
5.01816514,
3.916574585
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Ru",
"Ru",
"Ru",
"Ru",
"Sr",
"Sr",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.9951966,
0,
0
],
[
0,
2.9951966,
0
],
[
0,
0,
2.8826034
]
] | -53.201213 | [
-0.067,
-0.067,
-0.067,
-0.067,
0.005,
0.005,
0.244,
0.244
] | [
[
0.00014914,
0,
0
],
[
-0.00014914,
0,
0
],
[
0,
-0.00014914,
0
],
[
0,
0.00014914,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.333374 | 14.153845 | pbe | true | ae7758e67e25013c09d43d1155539d0d_141_Sr2V2Ru4 |
[
"Ag",
"Gd",
"Pr",
"Y"
] | 4 | ABCD | AgGdPrY | Pr1 Gd1 Y1 Ag1 | 4 | [
1,
1,
1
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[
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1,
1,
1
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[
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[
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1,
1,
1
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0,
0
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[
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] | -0.000532 | 4.967803 | pbe | true | ed59660e0b255ee8defb1b536be297de_216_Zr1Ni1Mo1 |
[
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1,
1,
1
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[
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1,
1,
1
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[
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1,
1,
1
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
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] | 0.000016 | 25.482124 | pbe | true | 50c3d467cbec5c61ad5b022b1607b37f_38_La1Nd14Dy1 |
[
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1,
1,
1
] | 3 | [
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0,
0
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"Cl",
"Cl",
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"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
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] | -4.047219 | 7.938148 | pbe | true | 57adf713def7024596d9cb0f708e1138_166_Cs4Mn2Zn2Cl12 |
[
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1,
1,
1
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4.472305582528529
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}] | [
"K",
"H",
"H",
"Os",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.08333333333333333,
0.08333333333333333
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[
0.03247964,
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] | -42.57249 | [
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0,
1.922,
0.126,
0.121,
0.073,
0.126,
0.121,
0.073,
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0.011
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[
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[
-0.00275783,
0.00196245,
0.00067135
]
] | 2.999986 | -0.19976 | pbe | true | 65479f3d638dda28abd47f131b4f9649_2_K1H2Os1Cl8 |
[
"Cu",
"Hg",
"Ho",
"Ru"
] | 8 | A4B2CD | CuHgHo4Ru2 | Ho4 Cu1 Hg1 Ru2 | 4 | [
1,
1,
1
] | 3 | [
[
4.92084971,
0,
0
],
[
2.46042485,
4.26158085,
0
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[
2.46042485,
1.42052695,
8.05464351
]
] | agm004791513 | [
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4.920849728399854,
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[
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Ho",
"Ho",
"Ho",
"Ho",
"Cu",
"Hg",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.5,
0.25
] | [
[
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0,
0
],
[
0,
-1.138974,
0
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[
0,
0,
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] | -44.172748 | [
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0,
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0,
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0,
0
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[
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[
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[
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0
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[
0,
0,
0.00353291
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[
0,
0,
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]
] | 0.000018 | 5.935519 | pbe | true | 38e029c2b1997872dedbbc8b227471d6_166_Ho4Cu1Hg1Ru2 |
[
"Au",
"Dy",
"Er"
] | 11 | A4B4C3 | Au4Dy4Er3 | Dy4 Er3 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
3.74006002,
0,
0
],
[
0,
9.08835674,
0
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[
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] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Dy",
"Dy",
"Dy",
"Dy",
"Er",
"Er",
"Er",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.36363636363636365,
0.2727272727272727
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[
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0
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[
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] | -51.547259 | [
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0,
0,
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[
0,
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0
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[
0,
0.00181974,
0
]
] | 0.000002 | 10.580184 | pbe | true | 98b9ab9023a985ee197d89ef88a4d501_71_Dy4Er3Au4 |
[
"Be",
"Ru",
"Y"
] | 4 | A2BC | Be2RuY | Y1 Be2 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.06655953,
3.06655953
],
[
3.06655953,
0,
3.06655953
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[
3.06655953,
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0
]
] | agm002648123 | [
[
0,
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0
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[
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3.06655953
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[
1.533279765,
1.533279765,
1.533279765
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[
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] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Ru",
"Be",
"Be"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
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[
0,
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0
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[
0,
0,
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] | -23.120671 | [
0,
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0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 6.28074 | pbe | true | 339c421fd725e100462a9ffa19c0d799_225_Y1Be2Ru1 |
[
"K",
"P",
"Si"
] | 4 | A2BC | K2PSi | K2 Si1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.85968377,
3.85968377
],
[
3.85968377,
0,
3.85968377
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[
3.85968377,
3.85968377,
0
]
] | agm002739851 | [
[
3.85968377,
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3.85968377
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[
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1.929841885
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[
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[
0,
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"K",
"K",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.1191036,
0,
0
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[
0,
1.1191036,
0
],
[
0,
0,
1.1191036
]
] | -10.874878 | [
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0.02,
0.02,
0.371
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.999908 | 1.497503 | pbe | true | 9f6a2c1abfdb687d20a570ecdb0e9183_225_K2Si1P1 |
[
"Ac",
"Er",
"Tm"
] | 4 | A2BC | Ac2ErTm | Ac2 Er1 Tm1 | 3 | [
1,
1,
1
] | 3 | [
[
3.67913654,
0,
0
],
[
1.83956827,
3.1862257,
0
],
[
1.83956827,
1.06207523,
12.98728317
]
] | agm001977766 | [
[
1.8395701279639527,
1.0620763035812977,
9.537944138405951
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[
5.518702952036047,
3.1862246264187024,
3.4493390315940484
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[
0,
0,
0
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[
3.67913654,
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]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ac",
"Ac",
"Tm",
"Er"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.8903889,
0,
0
],
[
0,
0.8903889,
0
],
[
0,
0,
1.0736132
]
] | -16.159616 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0.00743255
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000034 | 7.57271 | pbe | true | 7f3e8abe7c6444f7f4893753c6ae3fff_166_Ac2Er1Tm1 |
[
"Ni",
"Rh",
"Sb",
"Te"
] | 5 | A2BCD | NiRhSb2Te | Ni1 Sb2 Te1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
5.00392216,
0,
0
],
[
0,
5.00392216,
0
],
[
0,
0,
5.43035664
]
] | agm001785026 | [
[
0,
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0
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[
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[
0,
0,
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[
0,
0,
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[
2.50196108,
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] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Sb",
"Sb",
"Te",
"Rh",
"Ni"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0,
0
],
[
0,
-0.87787926,
0
],
[
0,
0,
-0.6906252
]
] | -20.973533 | [
-0.007,
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0.044,
-0.001,
0.574
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 0.591457 | 4.951321 | pbe | true | c3c385daae833a2cca4b01e5879e84fd_123_Ni1Sb2Te1Rh1 |
[
"Ni",
"Np",
"P"
] | 11 | A4B4C3 | Ni4Np3P4 | Np3 Ni4 P4 | 3 | [
1,
1,
1
] | 3 | [
[
3.87119338,
-0.00012124,
0.00330695
],
[
-0.0000668,
3.84879475,
0.00305351
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[
1.9277767,
1.91661442,
11.51243551
]
] | agm003380798 | [
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1.929375078347325,
3.8430914279432113,
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[
3.869624524837225,
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[
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[
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[
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4.482841521562472
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[
3.866837361565401,
1.919398181551526,
7.036075435442397
]
] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Np",
"Np",
"Np",
"Ni",
"Ni",
"Ni",
"Ni",
"P",
"P",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.2727272727272727,
0.36363636363636365
] | [
[
-3.5705373,
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[
-0.05325392,
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],
[
0.01303698,
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]
] | -91.545024 | [
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3.661,
-0.004,
-0.114,
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-0.055,
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[
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[
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[
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[
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[
0.00005557,
0.0004649,
-0.00061312
],
[
-0.00005557,
-0.0004649,
0.00061312
]
] | 10.975607 | 28.290827 | pbe | true | 2de788d7c5683a6c851fe0656523f601_71_Np3Ni4P4 |
[
"Ba",
"Cl",
"Co",
"O"
] | 5 | A2BCD | BaCl2CoO | Ba1 Co1 Cl2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.73744788,
0,
0
],
[
0,
3.58306756,
0
],
[
0,
0,
5.73744788
]
] | agm001504060 | [
[
0,
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0
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[
2.86872394,
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[
0,
0,
0
],
[
0,
0,
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],
[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}] | [
"Co",
"Ba",
"O",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
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[
0,
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0
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[
0,
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] | -21.459645 | [
2.589,
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0.009
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[
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[
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[
0,
0,
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[
0,
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] | 2.999705 | 0.257428 | pbe | true | 3cba69bbc46f2d9152a9fb780d0d8158_123_Ba1Co1Cl2O1 |
[
"Be",
"Hg",
"Sb",
"Ta"
] | 5 | A2BCD | Be2HgSbTa | Ta1 Be2 Hg1 Sb1 | 4 | [
1,
1,
1
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[
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0,
0
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[
0,
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0
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[
0,
0,
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] | agm001559448 | [
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Sb",
"Be",
"Be",
"Hg",
"Ta"
] | 2023-11-16 06:57:59 | [
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0.2,
0.2,
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[
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[
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[
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[
0,
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[
0,
0,
0
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] | 0 | 2.33755 | pbe | true | e28037d4da3fac397b6800240750beed_123_Ta1Be2Hg1Sb1 |
[
"Ca",
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"Ni",
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] | 5 | A2BCD | CaMoNi2Pb | Ca1 Ni2 Mo1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.62158464,
0
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[
0,
0,
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"Pb",
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"Ni",
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] | 2023-11-16 06:57:59 | [
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0.4,
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[
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[
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0,
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0,
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[
0,
0,
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[
0,
0,
0
]
] | 3.987501 | 4.180052 | pbe | true | 3253596851ba8c1d6a3bcf1c9fb3913a_123_Ca1Ni2Mo1Pb1 |
[
"Cd",
"Gd",
"In",
"Rh"
] | 4 | ABCD | CdGdInRh | Gd1 Cd1 In1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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0
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[
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] | agm001329723 | [
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"In"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25
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0
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[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 7.201163 | 2.940249 | pbe | true | e877f6b922aef52363d5dafb35868f98_216_Gd1Cd1In1Rh1 |
[
"Cd",
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"Pb"
] | 18 | A5B2CD | CdIn5NaPb2 | Na2 Cd2 In10 Pb4 | 4 | [
1,
1,
1
] | 3 | [
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4.52882173,
0,
0
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[
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0
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[
0,
0,
14.36809362
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] | agm005154898 | [
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}] | [
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"In",
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"In",
"In",
"In",
"Pb",
"Pb",
"Pb",
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] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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0.2222222222222222
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0
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[
0,
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0
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[
0,
0,
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] | -46.918649 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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0,
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[
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[
0,
0.00069861,
0.00362322
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[
0,
-0.00128165,
0.00093714
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] | 0.000001 | 8.876428 | pbe | true | d322f729b07e0b867decf46a1bd50453_36_Na2Cd2In10Pb4 |
[
"Co",
"Ir",
"Si",
"Y"
] | 5 | A2BCD | CoIrSi2Y | Y1 Co1 Si2 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
5.17054628,
0,
0
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[
0,
4.96482632,
0
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[
0,
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] | agm001528408 | [
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Si",
"Si",
"Ir",
"Co"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4,
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[
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[
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[
0,
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0
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] | -0.010332 | 8.603233 | pbe | true | 52405865fd4a392db2d77bb41e10ba95_123_Y1Co1Si2Ir1 |
[
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"Ce",
"Sn"
] | 13 | A8B4C | AuCe4Sn8 | Ce4 Sn8 Au1 | 3 | [
1,
1,
1
] | 3 | [
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4.43786135,
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[
0,
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] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
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"Ce",
"Ce",
"Ce",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Au"
] | 2023-11-16 06:57:59 | [
0.07692307692307693,
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[
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] | -65.969735 | [
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0.006,
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0,
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[
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[
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[
0,
0,
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[
0,
0,
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] | 3.025488 | 24.231468 | pbe | true | a5ad07297804b609b7ddfdf39b84512c_25_Ce4Sn8Au1 |