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] | 0.808 | 2.135823 | pbe | true | 5d4db12235c0038360e7e79b2bb8fb82_79_K6Mo6C5Se8N5 |
[
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[
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1,
1
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[
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1,
1,
1
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3.76030464,
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[
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1,
1
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] | 0 | 0.585989 | pbe | true | 904c12fc72217af3f95b73c43fc5e00f_221_Na1H3Pt1 |
[
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1
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[
"Cu",
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"Se",
"Sn"
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1,
1
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] | null | null | pbe | true | c262363df8402a9023d46672e2e7ef67_63_Li2Cu2Sn2Se6 |
[
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1,
1
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] | 0 | 0 | pbe | true | 693398a2bc2a334042b71db49ab3742f_148_As2Cl6 |
[
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1
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[
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[
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[
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] | 0 | 1.840307 | pbe | true | b75bef8e74546f83722ccd4d27b82015_143_Na24Ca9Zr3P18O72 |
[
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"O",
"Si",
"Ta"
] | 240 | A36B9C9D5E | CaNa9O36Si9Ta5 | Ca4 Na36 O144 Si36 Ta20 | 5 | [
1,
1,
1
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] | 0 | 4.483875 | pbe | true | da90d26ae39653df13dc72b5895b1473_1_Na36Ca4Ta20Si36O144 |
[
"H",
"Ni",
"Pb"
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1,
1,
1
] | 3 | [
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0,
0
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"Pb",
"Ni",
"H"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0
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] | 0 | 0.896311 | pbe | true | 5447cc669658c00edae1cb1a0814ec1c_187_Ni1H1Pb1 |
[
"Ca",
"Na",
"O",
"Ta",
"Ti"
] | 100 | A30B9C9DE | Ca9NaO30TaTi9 | Na2 Ca18 Ta2 Ti18 O60 | 5 | [
1,
1,
1
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] | null | null | pbe | true | c01d6d5692990b5a22b13515fc19b528_2_Cd4P8H40N8O32 |
[
"Cd",
"H",
"N",
"O",
"S"
] | 192 | A21B18C4D3E2 | Cd3H18N2O21S4 | Cd12 H72 N8 O84 S16 | 5 | [
1,
1,
1
] | 3 | [
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0
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] | 0 | -0.485743 | pbe | true | b119ba57b71f93811db564eaae5a90ba_14_Cd12H72S16N8O84 |
[
"Cd",
"H",
"O",
"Rb",
"S"
] | 160 | A21B10C4D3E2 | Cd3H10O21Rb2S4 | Cd12 H40 O84 Rb8 S16 | 5 | [
1,
1,
1
] | 3 | [
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0
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