Datasets:
LeMaterial
/
LeMat-BulkUnique

Dataset card Viewer Files Community
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[ "Ag", "H", "Pt", "Y" ]
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2023-11-16 06:57:59
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Bi2H6LiO6
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2023-11-16 06:57:59
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1207939c3ac2c0c8db72ef2f8f0fee38_147_Li1Bi2H6O6
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20
A6B2CD
Ca2IrO6Sm
Ca4 Sm2 Ir2 O12
4
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3
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2023-11-16 06:57:59
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AB
AuEu
Eu1 Au1
2
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2023-11-16 06:57:59
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a595463d7fc68cba3ebc5278d3779118_225_Eu1Au1
[ "Al", "Si", "Ta" ]
4
A2BC
AlSi2Ta
Ta1 Al1 Si2
3
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3
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agm004351701
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2023-11-16 06:57:59
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1f12e4ab2020b39778d49708f2ce1eb8_99_Ta1Al1Si2
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A6BC
AuF6Rh
Rh1 Au1 F6
3
[ 1, 1, 1 ]
3
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2023-11-16 06:57:59
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e40234c50a4a1ecc974033319fb9fca3_12_Rh1Au1F6
[ "Bi", "C", "Li" ]
5
A3BC
Bi3CLi
Li1 Bi3 C1
3
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2023-11-16 06:57:59
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80d85d076e4016c5403ca12683456acf_221_Li1Bi3C1
[ "C", "Fe", "Ga" ]
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CFe3Ga
Ga1 Fe3 C1
3
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2023-11-16 06:57:59
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Ca2FeK
K1 Ca2 Fe1
3
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2023-11-16 06:57:59
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2.255234
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5f8184fe592ebbac7a32dde86bdf486b_44_K1Ca2Fe1
[ "Cd", "H", "Se" ]
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A2BC
CdH2Se
Cd1 H2 Se1
3
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[ "H", "H", "Se", "Cd" ]
2023-11-16 06:57:59
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f6743ea255b42a9db7baea17c0cd9a4f_225_Cd1H2Se1
[ "Dy", "Pb", "Zr" ]
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A3B2C
Dy2Pb3Zr
Dy4 Zr2 Pb6
3
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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Ga1 Sn5 Pb4
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agm006115023
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2023-11-16 06:57:59
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Mg1 In3 Hg7
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2023-11-16 06:57:59
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I2Pm2Pt
Pm2 Pt1 I2
3
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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3
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agm003308725
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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": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Nd", "Nd", "Tm", "Tm", "Tm", "Th", "Th" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.2857142857142857, 0.42857142857142855 ]
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-36.772429
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0.000024
10.085991
pbe
true
22f39980f7c5bf75ea634e6728f565bd_12_Nd2Tm3Th2
[ "Tc", "Te", "Ti" ]
5
A3BC
TcTeTi3
Ti3 Tc1 Te1
3
[ 1, 1, 1 ]
3
[ [ 4.8937131, 0, 0 ], [ 0, 4.8937131, 0 ], [ 0, 0, 4.8937131 ] ]
agm002613255
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[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Te", "Tc", "Ti", "Ti", "Ti" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 1.9019343, 0, 0 ], [ 0, 1.9019343, 0 ], [ 0, 0, 1.9019343 ] ]
-31.332567
[ 0.022, 2.468, -0.243, -0.304, -0.39 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.631104
5.546633
pbe
true
615d235e9f95770f7f9552ff5cf463db_221_Ti3Tc1Te1
[ "Ag", "Br", "Co", "Rb" ]
20
A6B2CD
AgBr6CoRb2
Rb4 Co2 Ag2 Br12
4
[ 1, 1, 1 ]
3
[ [ 7.23193821, 0, -0.01263354 ], [ 0, 7.23438084, 0 ], [ 0.0420646, 0, 11.38609996 ] ]
agm004924706
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Rb", "Rb", "Rb", "Rb", "Co", "Co", "Ag", "Ag", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.1, 0.2 ]
[ [ 1.0301479, 0, -0.02685477 ], [ 0, 0.94876045, 0 ], [ -0.02685476, 0, 0.84211797 ] ]
-61.085109
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0.29313
5.730991
pbe
true
c938caa6d8bf0dc1274cb5989ab1206b_14_Rb4Co2Ag2Br12
[ "Ag", "S", "Tl", "Zr" ]
11
A6B2C2D
AgS6Tl2Zr2
Zr2 Tl2 Ag1 S6
4
[ 1, 1, 1 ]
3
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agm004585612
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Zr", "Zr", "Tl", "Tl", "Ag", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.5454545454545454, 0.18181818181818182, 0.18181818181818182 ]
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-59.382298
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-0.000084
7.880594
pbe
true
16007774344894e78ddc0a06f144d5b4_12_Zr2Tl2Ag1S6
[ "Al", "F", "Fe", "In" ]
9
A6BCD
AlF6FeIn
Al1 In1 Fe1 F6
4
[ 1, 1, 1 ]
3
[ [ 5.35278398, 0.00194, -0.00264077 ], [ 2.67808997, 4.64157162, -0.00189935 ], [ -0.00196873, -0.00089752, 5.93348642 ] ]
agm005097528
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Al", "In", "Fe", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]
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-48.326903
[ 0.001, 0.003, 3.811, 0.022, 0.021, 0.021, 0.019, 0.019, 0.02 ]
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4.01224
0
pbe
true
e75108eabee059f4dbbef9dff28d6dca_5_Al1In1Fe1F6
[ "Al", "F", "Ge", "Tl" ]
5
A2BCD
AlFGe2Tl
Al1 Tl1 Ge2 F1
4
[ 1, 1, 1 ]
3
[ [ 5.39176155, 0, 0 ], [ 0, 4.48526495, 0 ], [ 0, 0, 5.39176155 ] ]
agm001599118
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[ "Tl", "F", "Ge", "Ge", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.1771253, 0, 0 ], [ 0, 0.06262148, 0 ], [ 0, 0, 1.1771253 ] ]
-15.716906
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.194565
pbe
true
05b998744ae8d0f86f24e8aa82a6b153_123_Al1Tl1Ge2F1
[ "Cd", "Er", "Os", "Pu" ]
4
ABCD
CdErOsPu
Er1 Pu1 Cd1 Os1
4
[ 1, 1, 1 ]
3
[ [ 3.28842013, 0, 0 ], [ 0, 3.28842013, 0 ], [ 0, 0, 8.42898372 ] ]
agm005194245
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Er", "Pu", "Cd", "Os" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.8918073, 0, 0 ], [ 0, 3.8918073, 0 ], [ 0, 0, 3.7621758 ] ]
-31.759571
[ -0.097, -5.064, -0.004, 0.368 ]
[ [ 0, 0, -0.00175014 ], [ 0, 0, 0.00185283 ], [ 0, 0, -0.00112089 ], [ 0, 0, 0.0010182 ] ]
-5.022995
7.051352
pbe
true
e4c6c9c0fc3b3401e82f828b9ade1d58_99_Er1Pu1Cd1Os1
[ "La", "Ru", "Te", "Zn" ]
5
A2BCD
La2RuTeZn
La2 Zn1 Te1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 5.41555943, 0, 0 ], [ 0, 5.41555943, 0 ], [ 0, 0, 4.87196741 ] ]
agm001640867
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Ru", "Zn", "Te", "La", "La" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 1.7747749, 0, 0 ], [ 0, 1.7747749, 0 ], [ 0, 0, 1.2920511 ] ]
-26.981008
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000014
3.480722
pbe
true
e6b493e878f9b3a00c1de58182a462df_123_La2Zn1Te1Ru1
[ "Na", "Pr", "Tb", "Tl" ]
8
A4B2CD
NaPrTb2Tl4
Na1 Tb2 Pr1 Tl4
4
[ 1, 1, 1 ]
3
[ [ 5.37698636, 0, 0 ], [ 2.68849318, 4.65660678, 0 ], [ 2.68849318, 1.55220226, 8.99835588 ] ]
agm004806205
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Na", "Tb", "Tb", "Pr", "Tl", "Tl", "Tl", "Tl" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.25, 0.5 ]
[ [ 3.5961995, 0, 0 ], [ 0, 3.5961995, 0 ], [ 0, 0, 3.3770235 ] ]
-27.247017
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0
4.832159
pbe
true
88f47191d622cf494b0c775b4ce9e55d_166_Na1Tb2Pr1Tl4
[ "Bi", "Ce" ]
4
A3B
BiCe3
Ce3 Bi1
2
[ 1, 1, 1 ]
3
[ [ 4.82490832, 0, 0 ], [ 0, 4.82459139, 0 ], [ 0, 0, 4.82436813 ] ]
agm001829536
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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Bi", "Ce", "Ce", "Ce" ]
2023-11-16 06:57:59
[ 0.25, 0.75 ]
[ [ 3.3855786, 0, 0 ], [ 0, 3.406372, 0 ], [ 0, 0, 3.3929796 ] ]
-23.308698
[ -0.024, 0.784, 0.785, 0.784 ]
[ [ 0, 0, -0.00070592 ], [ 0, 0, -0.00034501 ], [ 0, 0, 0.0012688 ], [ 0, 0, -0.00021787 ] ]
2.951405
10.519494
pbe
true
187b54b6d8a94c025c22c597abee4177_221_Ce3Bi1
[ "Ac", "La", "Sm" ]
20
A3BC
AcLa3Sm
Ac4 La12 Sm4
3
[ 1, 1, 1 ]
3
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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pbe
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626469d880a52907ab4eac03489ddc1e_47_Ac1Pm4Pr1Dy2
[ "Au", "C", "Fe", "Y" ]
5
A2BCD
AuCFeY2
Y2 Fe1 Au1 C1
4
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3
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agm001611095
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[ "Y", "Y", "C", "Au", "Fe" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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0.251553
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pbe
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e2f4f747eb27b0430c590c25c17b3372_123_Y2Fe1Au1C1
[ "Bi", "Ge", "Tc", "Zr" ]
5
A2BCD
BiGeTc2Zr
Zr1 Tc2 Ge1 Bi1
4
[ 1, 1, 1 ]
3
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agm001501118
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[ "Ge", "Bi", "Zr", "Tc", "Tc" ]
2023-11-16 06:57:59
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1.871105
5.578715
pbe
true
68cfc3259484c87dc8a773ab61608602_123_Zr1Tc2Ge1Bi1
[ "Bi", "Na", "O", "Pm" ]
12
A8B2CD
Bi2NaO8Pm
Na1 Pm1 Bi2 O8
4
[ 1, 1, 1 ]
3
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agm004917155
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[ "Na", "Pm", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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2.01667
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pbe
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f689e7455e64ddcfcc51e0b0bac9091b_147_Na1Pm1Bi2O8
[ "Ca", "Cd", "Pd", "Rh" ]
9
A3B3C2D
Ca3Cd3PdRh2
Ca3 Cd3 Pd1 Rh2
4
[ 1, 1, 1 ]
3
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agm004504338
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[ "Ca", "Ca", "Ca", "Cd", "Cd", "Cd", "Pd", "Rh", "Rh" ]
2023-11-16 06:57:59
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0.000008
4.34839
pbe
true
b96a1fc97881108de3ed6f7e84c871e4_189_Ca3Cd3Pd1Rh2
[ "Cl", "P", "S", "Y" ]
8
A4B2CD
ClPS2Y4
Y4 P1 S2 Cl1
4
[ 1, 1, 1 ]
3
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agm004855087
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[ "Y", "Y", "Y", "Y", "P", "S", "S", "Cl" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.25, 0.5 ]
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0.000001
2.680369
pbe
true
12174253b01bf70caaf2a5257f850d5f_10_Y4P1S2Cl1
[ "Cr", "F", "Hf", "Sr" ]
5
A2BCD
CrFHfSr2
Sr2 Hf1 Cr1 F1
4
[ 1, 1, 1 ]
3
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agm001566389
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[ "Sr", "Sr", "F", "Hf", "Cr" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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-21.489678
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2.310513
4.206926
pbe
true
aa66c9b47d4cfb812acf7de620b92032_123_Sr2Hf1Cr1F1
[ "F", "Mn", "Pb", "Tl" ]
20
A6B2CD
F6MnPbTl2
Mn2 Tl4 Pb2 F12
4
[ 1, 1, 1 ]
3
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agm004928086
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[ "Mn", "Mn", "Tl", "Tl", "Tl", "Tl", "Pb", "Pb", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
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9.999997
0
pbe
true
8d5954cdf598b08663274745465679e6_59_Mn2Tl4Pb2F12
[ "Ho", "Li", "Tb", "Te" ]
8
A4B2CD
Ho2LiTbTe4
Li1 Tb1 Ho2 Te4
4
[ 1, 1, 1 ]
3
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agm004832651
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[ "Li", "Tb", "Ho", "Ho", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.125, 0.5 ]
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3.076671
pbe
true
ee6493bc51342d4fd90345b3e3228c1b_10_Li1Tb1Ho2Te4
[ "La", "Pd", "Si", "Zn" ]
8
A4B2CD
LaPd4SiZn2
La1 Zn2 Si1 Pd4
4
[ 1, 1, 1 ]
3
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agm004791117
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[ "La", "Zn", "Zn", "Si", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
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0.000024
4.752021
pbe
true
f1d58f9a93110c139a075a00c2d0efe4_166_La1Zn2Si1Pd4
[ "Be", "Tc" ]
5
A4B
Be4Tc
Be4 Tc1
2
[ 1, 1, 1 ]
3
[ [ -1.58806728, 1.58806728, 4.51544328 ], [ 1.58806728, -1.58806728, 4.51544328 ], [ 1.58806728, 1.58806728, -4.51544328 ] ]
agm005410514
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[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Be", "Be", "Be", "Be", "Tc" ]
2023-11-16 06:57:59
[ 0.8, 0.2 ]
[ [ -0.09175963, 0, 0 ], [ 0, -0.09175963, 0 ], [ 0, 0, -0.34690815 ] ]
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2.102707
pbe
true
0686ebab099f86952efc4e9919b17f40_139_Be4Tc1
[ "C", "Cu" ]
16
A3B
CCu3
Cu12 C4
2
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2023-11-16 06:57:59
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7221f693e48d4bafae4f801b36f1d5ba_62_Cu12C4
[ "Ni", "P" ]
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A10B7
Ni10P7
Ni10 P7
2
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3
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agm2000047040
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2023-11-16 06:57:59
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pbe
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2690376437f96a74b580b099d79ad7ee_183_Ni10P7
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15
A8B4C3
Ac3Sm4Te8
Ac3 Sm4 Te8
3
[ 1, 1, 1 ]
3
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agm003384871
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[ "Ac", "Ac", "Ac", "Sm", "Sm", "Sm", "Sm", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
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7.590996
pbe
true
86e21e431e7a64185a50d5124717e208_12_Ac3Sm4Te8
[ "B", "O", "Pb" ]
4
A2BC
BO2Pb
B1 Pb1 O2
3
[ 1, 1, 1 ]
3
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agm002755756
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[ "Pb", "B", "O", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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0
0.368972
pbe
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7c7e17b8d658f6c2abfb511df7d92348_166_B1Pb1O2
[ "Be", "Cu", "Hf" ]
28
A10B3C
Be3Cu10Hf
Hf2 Be6 Cu20
3
[ 1, 1, 1 ]
3
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agm005834788
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2023-11-16 06:57:59
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0.000001
10.629052
pbe
true
ffcbc9412f0a260ec0e3ebff86129887_225_Hf2Be6Cu20
[ "Bi", "Hf", "Te" ]
8
A2BC
BiHf2Te
Hf4 Bi2 Te2
3
[ 1, 1, 1 ]
3
[ [ 6.54837336, 0, 0 ], [ 0, 6.54837336, 0 ], [ 3.27418668, 3.27418668, 6.51121882 ] ]
agm002896859
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[ "Te", "Te", "Hf", "Hf", "Hf", "Hf", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-50.393137
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0
8.77708
pbe
true
1703eacb9b641cdfd0f8c4b7d841a529_122_Hf4Bi2Te2
[ "Br", "Mn", "Ru" ]
4
A2BC
BrMnRu2
Mn1 Ru2 Br1
3
[ 1, 1, 1 ]
3
[ [ 8.466627, -0.07884991, -0.04635708 ], [ 7.98884655, 2.80505275, -0.04635708 ], [ 7.98884655, 1.32352412, 2.47361149 ] ]
agm003896761
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[ "Br", "Mn", "Ru", "Ru" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-27.041535
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3.034813
4.942631
pbe
true
4a865552af0ee898b3462de181649ff8_166_Mn1Ru2Br1
[ "C", "Cd", "Os" ]
8
A2BC
CCd2Os
Cd4 Os2 C2
3
[ 1, 1, 1 ]
3
[ [ 8.76058972, 0, 0 ], [ 0, 8.76058972, 0 ], [ 4.38029486, 4.38029486, 1.95950165 ] ]
agm002806536
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[ "C", "C", "Os", "Os", "Cd", "Cd", "Cd", "Cd" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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0
5.333975
pbe
true
02385c5b2d13f67fc45956d2083c0ef3_122_Cd4Os2C2
[ "Co", "Fe", "Nb" ]
6
A4BC
Co4FeNb
Nb1 Fe1 Co4
3
[ 1, 1, 1 ]
3
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2023-11-16 06:57:59
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63d37d73a31a02c5f8a9a46481f2ebe3_191_Nb1Fe1Co4
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A3B2C
Dy2Pb3Sc
Dy4 Sc2 Pb6
3
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2023-11-16 06:57:59
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49d64198f6f2190bde9cefcd1d766b81_15_Dy4Sc2Pb6
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A2BC
Fe2KNa
K1 Na1 Fe2
3
[ 1, 1, 1 ]
3
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agm002709405
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[ "Na", "K", "Fe", "Fe" ]
2023-11-16 06:57:59
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6.302679
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pbe
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1ebe33b57cf88c780be61f66b05ccc55_225_K1Na1Fe2
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ABC
GaNaTl
Na1 Tl1 Ga1
3
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3
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agm001267600
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[ "Na", "Tl", "Ga" ]
2023-11-16 06:57:59
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pbe
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a4bde235a09b80d19a74998d3e61c4b8_187_Na1Tl1Ga1
[ "Li", "Lu", "Pt", "Pu" ]
4
ABCD
LiLuPtPu
Li1 Lu1 Pu1 Pt1
4
[ 1, 1, 1 ]
3
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agm001301613
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[ "Lu", "Li", "Pt", "Pu" ]
2023-11-16 06:57:59
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d7d40ce1abbf50685d5172630ad7bb66_216_Li1Lu1Pu1Pt1
[ "Na", "Np", "Se", "Sr" ]
8
A4B2CD
NaNpSe4Sr2
Na1 Sr2 Np1 Se4
4
[ 1, 1, 1 ]
3
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agm004822993
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[ "Na", "Sr", "Sr", "Np", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
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4.000202
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65e590e3bab0c083da8433814eb2eb3e_10_Na1Sr2Np1Se4
[ "Mn", "Tl" ]
9
A2B
MnTl2
Mn3 Tl6
2
[ 1, 1, 1 ]
3
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agm2000044774
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[ "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Mn", "Mn", "Mn" ]
2023-11-16 06:57:59
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11.085973
5.509152
pbe
true
e9df61487d3051a422d1fbee861c6e21_189_Mn3Tl6
[ "Ag", "Br", "Rb" ]
10
A7B2C
AgBr7Rb2
Rb2 Ag1 Br7
3
[ 1, 1, 1 ]
3
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agm004480268
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Rb", "Rb", "Ag" ]
2023-11-16 06:57:59
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0
0
pbe
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29e7934545516244957cf89f48b56b1d_139_Rb2Ag1Br7
[ "Ag", "Ca", "In" ]
13
A8B4C
Ag4CaIn8
Ca1 In8 Ag4
3
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3
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agm006076175
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[ "Ca", "In", "In", "In", "In", "In", "In", "In", "In", "Ag", "Ag", "Ag", "Ag" ]
2023-11-16 06:57:59
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0
6.07737
pbe
true
097c711e614e872510fc26893588327e_139_Ca1In8Ag4
[ "Al", "Nb", "Zr" ]
4
A2BC
AlNb2Zr
Zr1 Nb2 Al1
3
[ 1, 1, 1 ]
3
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agm001198049
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[ "Nb", "Nb", "Al", "Zr" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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pbe
true
47ba4188b0734cd31f58dab885a19648_123_Zr1Nb2Al1
[ "Al", "P", "Se" ]
7
A3B3C
Al3PSe3
Al3 P1 Se3
3
[ 1, 1, 1 ]
3
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agm2000070469
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[ "Al", "Al", "Al", "P", "Se", "Se", "Se" ]
2023-11-16 06:57:59
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0
1.36973
pbe
true
3e2632967a746fcef5401d9743ce8d55_6_Al3P1Se3
[ "Al", "Sr", "Zn" ]
10
A5B4C
AlSr5Zn4
Sr5 Al1 Zn4
3
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3
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agm003645415
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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Sr", "Sr", "Sr", "Sr", "Sr", "Al", "Zn", "Zn", "Zn", "Zn" ]
2023-11-16 06:57:59
[ 0.1, 0.5, 0.4 ]
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-18.886262
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0.000196
7.12046
pbe
true
327098f6e1481c680ce1f343622e3469_123_Sr5Al1Zn4
[ "Be", "Co", "Se" ]
5
A3BC
Be3CoSe
Be3 Co1 Se1
3
[ 1, 1, 1 ]
3
[ [ 4.02774659, 0, 0 ], [ 0, 4.02774659, 0 ], [ 0, 0, 4.02774659 ] ]
agm002413841
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Be", "Be", "Be", "Co", "Se" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ -0.6409435, 0, 0 ], [ 0, -0.6409435, 0 ], [ 0, 0, -0.6409435 ] ]
-18.502337
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
2.802842
pbe
true
feec3c20a3a5a0a53287f23d7166ef94_221_Be3Co1Se1
[ "B", "Be", "Bi", "Si" ]
5
A2BCD
B2BeBiSi
Be1 Si1 Bi1 B2
4
[ 1, 1, 1 ]
3
[ [ 4.58040546, 0, 0 ], [ 0, 5.66282946, 0 ], [ 0, 0, 4.58040546 ] ]
agm001430319
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[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Be", "Si", "B", "B", "Bi" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 4.7509212, 0, 0 ], [ 0, -5.0470123, 0 ], [ 0, 0, 4.7509212 ] ]
-13.788902
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.457667
pbe
true
5021fb623f89995f4a24c55dc2360d08_123_Be1Si1Bi1B2
[ "Ba", "Hg", "Mo", "N" ]
5
A2BCD
BaHgMo2N
Ba1 Hg1 Mo2 N1
4
[ 1, 1, 1 ]
3
[ [ 5.43531529, 0, 0 ], [ 0, 4.62926342, 0 ], [ 0, 0, 5.43531529 ] ]
agm001479458
[ [ 0, 0, 2.717657645 ], [ 2.717657645, 0, 0 ], [ 0, 2.31463171, 0 ], [ 0, 0, 0 ], [ 2.717657645, 2.31463171, 2.717657645 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Mo", "Mo", "N", "Hg", "Ba" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.65080315, 0, 0 ], [ 0, 1.6338001, 0 ], [ 0, 0, 0.65080315 ] ]
-21.303002
[ 3.344, 3.17, -0.049, 0.078, 0.132 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
8.330713
5.437297
pbe
true
4216b37471f86bb2e9cbfc84326dcd88_123_Ba1Hg1Mo2N1
[ "Bi", "Nd", "Pr", "Sc" ]
8
A4B2CD
Bi4Nd2PrSc
Pr1 Nd2 Sc1 Bi4
4
[ 1, 1, 1 ]
3
[ [ 4.54595453, 0, 0 ], [ 0, 7.85935581, 0.13214887 ], [ 0, -2.75092836, 7.3679307 ] ]
agm004841691
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[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"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"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Pr", "Nd", "Nd", "Sc", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.125, 0.125 ]
[ [ 0.4285005, 0, 0 ], [ 0, 0.43652022, 0.00129396 ], [ 0, 0.00129399, 0.43662545 ] ]
-42.985739
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00272252, 0.00194573 ], [ 0, 0.00272252, -0.00194573 ], [ 0, 0.00063047, 0.00112558 ], [ 0, -0.00063047, -0.00112558 ] ]
-0
1.242277
pbe
true
625eb1ea278ac37584c54d9b12707855_10_Pr1Nd2Sc1Bi4
[ "Br", "P", "S", "V" ]
5
A2BCD
BrP2SV
V1 P2 S1 Br1
4
[ 1, 1, 1 ]
3
[ [ 4.68002762, 0, 0 ], [ 0, 4.68002762, 0 ], [ 0, 0, 4.40973776 ] ]
agm001767061
[ [ 0, 2.34001381, 0 ], [ 2.34001381, 0, 0 ], [ 0, 0, 2.20486888 ], [ 2.34001381, 2.34001381, 2.20486888 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"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", "P", "S", "Br", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.0626093, 0, 0 ], [ 0, 1.0626093, 0 ], [ 0, 0, 1.3665957 ] ]
-24.730935
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
2.602873
pbe
true
fdcc62c4f4f59fe0155d18d2b316eaf9_123_V1P2S1Br1
[ "C", "Nb", "Sc", "Ta" ]
12
A3BCD
C3NbScTa
Sc2 Ta2 Nb2 C6
4
[ 1, 1, 1 ]
3
[ [ 3.25942891, 0, 0 ], [ 0, 5.39335273, 0.26956865 ], [ 0, -2.01011937, 8.16614636 ] ]
agm005039653
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[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}]
[ "Sc", "Sc", "Ta", "Ta", "Nb", "Nb", "C", "C", "C", "C", "C", "C" ]
2023-11-16 06:57:59
[ 0.5, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]
[ [ 0.29902557, 0, 0 ], [ 0, 0.19930117, -0.00115799 ], [ 0, -0.0011581, 0.27349102 ] ]
-116.909999
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00101623, -0.00189777 ], [ 0, 0.00101623, 0.00189777 ], [ 0, -0.00069365, 0.00299635 ], [ 0, 0.00069365, -0.00299635 ], [ 0, -0.0007298, -0.00014597 ], [ 0, 0.0007298, 0.00014597 ], [ 0, -0.00108763, 0.00168313 ], [ 0, 0.00080264, 0.00083565 ], [ 0, 0.00052917, 0.0008445 ], [ 0, 0.00108763, -0.00168313 ], [ 0, -0.00052917, -0.0008445 ], [ 0, -0.00080264, -0.00083565 ] ]
-0.000002
4.683029
pbe
true
7790a90eb4d3d18c080a7d2934dc456b_11_Sc2Ta2Nb2C6
[ "Ca", "Hf", "Sn", "Tl" ]
5
A2BCD
CaHf2SnTl
Ca1 Hf2 Tl1 Sn1
4
[ 1, 1, 1 ]
3
[ [ 5.21545935, 0, 0 ], [ 0, 5.53309971, 0 ], [ 0, 0, 5.21545935 ] ]
agm001505469
[ [ 2.607729675, 2.766549855, 2.607729675 ], [ 0, 0, 0 ], [ 0, 0, 2.607729675 ], [ 2.607729675, 0, 0 ], [ 0, 2.766549855, 0 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Tl", "Ca", "Hf", "Hf", "Sn" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.8195678, 0, 0 ], [ 0, 2.8102438, 0 ], [ 0, 0, 1.8195678 ] ]
-21.237082
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.769934
pbe
true
5733ee18b998f73915cfe8b7258fa682_123_Ca1Hf2Tl1Sn1
[ "Cu", "Ni", "Pd", "Sc" ]
8
A4B2CD
Cu2NiPdSc4
Sc4 Cu2 Ni1 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.59767193, 0, 0 ], [ 2.29883597, 3.98170069, 0 ], [ 2.29883596, 1.32723356, 7.51200115 ] ]
agm004797486
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[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Sc", "Sc", "Sc", "Sc", "Cu", "Cu", "Ni", "Pd" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.125, 0.5 ]
[ [ -3.762055, 0, 0 ], [ 0, -3.762055, 0 ], [ 0, 0, -3.45571 ] ]
-48.415306
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00061725 ], [ 0, 0, 0.00082501 ], [ 0, 0, -0.00082501 ], [ 0, 0, 0.00061725 ], [ 0, 0, -0.01221464 ], [ 0, 0, 0.01221464 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
5.761552
pbe
true
16e9537862fe92458d8f545a92683e8c_166_Sc4Cu2Ni1Pd1
[ "Ir", "Nd", "O", "Zr" ]
18
A6BCD
IrNdO6Zr
Nd2 Zr2 Ir2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36973629, 0, 0 ], [ -2.68486815, 4.65032804, 0 ], [ 0, 0, 10.26298721 ] ]
agm005080297
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Nd", "Nd", "Zr", "Zr", "Ir", "Ir", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]
[ [ 0.78939885, 0, 0 ], [ 0, 0.78939885, 0 ], [ 0, 0, 0.7478324 ] ]
-144.633919
[ 0.011, 0.011, 0.005, 0.005, 1.111, 1.111, 0.12, 0.12, 0.12, 0.12, 0.12, 0.12, 0.12, 0.12, 0.12, 0.12, 0.12, 0.12 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00050909, -0.00580983, 0.00074575 ], [ -0.005286, 0.00246403, 0.00074575 ], [ 0.00477691, -0.0033458, 0.00074575 ], [ 0.005286, -0.00246403, -0.00074575 ], [ 0.005286, 0.00246403, -0.00074575 ], [ -0.00050909, -0.00580983, -0.00074575 ], [ -0.00477691, -0.0033458, -0.00074575 ], [ -0.00477691, 0.0033458, -0.00074575 ], [ 0.00050909, 0.00580983, 0.00074575 ], [ 0.00477691, 0.0033458, 0.00074575 ], [ -0.005286, -0.00246403, 0.00074575 ], [ -0.00050909, 0.00580983, -0.00074575 ] ]
4.057838
7.736621
pbe
true
ea8c5abefef1704a5c28826f203fcd8e_163_Nd2Zr2Ir2O12
[ "Pd", "Si" ]
14
A6B
Pd6Si
Si2 Pd12
2
[ 1, 1, 1 ]
3
[ [ 5.0401569, -0.13175775, 0 ], [ -0.80286616, 4.9775442, 0 ], [ 0, 0, 8.51687013 ] ]
agm005547639
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[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Si", "Si", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.8571428571428571, 0.14285714285714285 ]
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-77.38481
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0
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pbe
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a6bba78157d4c244bb23c95ff100f680_63_Si2Pd12
[ "Ac", "Sm", "Tl" ]
4
A2BC
AcSm2Tl
Ac1 Sm2 Tl1
3
[ 1, 1, 1 ]
3
[ [ 5.6895463, 0, 0 ], [ 2.84477315, 4.92729163, 0 ], [ 2.84477315, 1.64243054, 4.6454951 ] ]
agm001098386
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[ "Ac", "Tl", "Sm", "Sm" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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7.570886
pbe
true
a904615f31815348ac23d2d6dba99c7e_225_Ac1Sm2Tl1
[ "Ag", "Sm", "Tm" ]
12
A6B5C
Ag6Sm5Tm
Sm5 Tm1 Ag6
3
[ 1, 1, 1 ]
3
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agm006098634
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[ "Tm", "Sm", "Sm", "Sm", "Sm", "Sm", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag" ]
2023-11-16 06:57:59
[ 0.5, 0.4166666666666667, 0.08333333333333333 ]
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-0.000002
6.89484
pbe
true
962aafba700741779d70d03cfa9e1c9b_10_Sm5Tm1Ag6
[ "Ag", "Sr", "Ta" ]
4
A2BC
AgSrTa2
Sr1 Ta2 Ag1
3
[ 1, 1, 1 ]
3
[ [ 3.48187367, 0, 0 ], [ 0, 3.48053418, 0.00418859 ], [ 0, 3.47277251, 7.81163826 ] ]
agm004072425
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[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Ag", "Sr", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-26.549835
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-0.000002
2.851025
pbe
true
2c0597886a3ffae011741687bbe3f5e7_99_Sr1Ta2Ag1
[ "As", "Cr", "Sr" ]
4
A2BC
AsCr2Sr
Sr1 Cr2 As1
3
[ 1, 1, 1 ]
3
[ [ 6.40354944, -0.03287119, -0.02052196 ], [ 4.99232549, 4.01038803, -0.02052196 ], [ 4.99232549, 1.74247777, 3.61211911 ] ]
agm004036259
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "As", "Cr", "Cr", "Sr" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-24.476456
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7.33442
3.651696
pbe
true
a790a930896f8041501e66a4c0218c9a_166_Sr1Cr2As1
[ "As", "Hg", "Zr" ]
10
A2B2C
As2Hg2Zr
Zr2 Hg4 As4
3
[ 1, 1, 1 ]
3
[ [ 7.07556387, 0, 0 ], [ 0, 7.07556387, 0 ], [ 0, 0, 4.44765199 ] ]
agm002957914
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "As", "As", "As", "As", "Hg", "Hg", "Hg", "Hg", "Zr", "Zr" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
[ [ 4.2400765, 0, 0 ], [ 0, 4.2400765, 0 ], [ 0, 0, 1.8957638 ] ]
-37.419573
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00654759, -0.00654759, 0 ], [ -0.00654759, 0.00654759, 0 ], [ 0.00654759, 0.00654759, 0 ], [ 0.00654759, -0.00654759, 0 ], [ 0.00943918, 0.00943918, 0 ], [ 0.00943918, -0.00943918, 0 ], [ -0.00943918, -0.00943918, 0 ], [ -0.00943918, 0.00943918, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
6.025644
pbe
true
c70defa4c0c9a51ef9ef4948b82522e1_127_Zr2Hg4As4
[ "As", "Si", "Ta" ]
4
A2BC
AsSi2Ta
Ta1 Si2 As1
3
[ 1, 1, 1 ]
3
[ [ 5.16631952, 0.02195011, 1e-8 ], [ 2.31567207, 4.61833325, 1e-8 ], [ -3.74099649, -2.32014211, 2.70429753 ] ]
agm004226531
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[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"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", "Si", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.659111, 0.03543337, -6.7e-7 ], [ 0.03543337, 2.6239538, -4.1e-7 ], [ -6.7e-7, -4.1e-7, 2.601976 ] ]
-26.316536
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
2.018501
pbe
true
e024f7d1d316b920702649f9338eb3fe_119_Ta1Si2As1
[ "Ba", "La", "Re" ]
4
A2BC
BaLaRe2
Ba1 La1 Re2
3
[ 1, 1, 1 ]
3
[ [ 4.88793754, 0, 0 ], [ 0, 3.24137916, 0.0969915 ], [ 0, 1.08601329, 7.03414379 ] ]
agm003857506
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
[ "Re", "Re", "Ba", "La" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 6.0595255, 0, 0 ], [ 0, 5.538267, 0.02318811 ], [ 0, 0.02318828, 5.4624243 ] ]
-28.237284
[ 0, 0, 0, 0 ]
[ [ 0, -0.01214245, 0.00300117 ], [ 0, 0.01214245, -0.00300117 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000005
4.050121
pbe
true
054a973c0f026a8955cf7f80e0672fa8_10_Ba1La1Re2
[ "Be", "I", "Tc" ]
5
A3BC
Be3ITc
Be3 Tc1 I1
3
[ 1, 1, 1 ]
3
[ [ 4.37330522, 0, 0 ], [ 0, 4.37330522, 0 ], [ 0, 0, 4.37330522 ] ]
agm002419457
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[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "Be", "Be", "Be", "Tc" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ -0.9232945, 0, 0 ], [ 0, -0.9232945, 0 ], [ 0, 0, -0.9232945 ] ]
-17.234528
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.123448
pbe
true
4386d19d1d05e8ac8702fa34698acf3b_221_Be3Tc1I1
[ "Ca", "F", "H" ]
8
A2BC
CaF2H
Ca2 H2 F4
3
[ 1, 1, 1 ]
3
[ [ 3.60540299, 0, -0.6451804 ], [ 0, 4.28949469, 0 ], [ -0.15760507, 0, 9.51572433 ] ]
agm005701670
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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Ca", "Ca", "H", "H", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.1933533, 0, 0.00167167 ], [ 0, 1.343471, 0 ], [ 0.00167167, 0, 1.2023946 ] ]
-36.387715
[ 0.002, 0.002, 0.379, 0.379, 0.005, 0.005, 0.025, 0.025 ]
[ [ 0.00078685, 0, 0.0043971 ], [ -0.00078685, 0, -0.0043971 ], [ 0.0004279, 0, 0.00239121 ], [ -0.0004279, 0, -0.00239121 ], [ 0.00043758, 0, 0.00244528 ], [ -0.00043758, 0, -0.00244528 ], [ 0.00044854, 0, 0.00250656 ], [ -0.00044854, 0, -0.00250656 ] ]
2
0
pbe
true
64bff216d9bbc941ae8aa5eded7dd575_63_Ca2H2F4
[ "Cd", "Ho", "Tm" ]
6
A3B2C
Cd3HoTm2
Ho1 Tm2 Cd3
3
[ 1, 1, 1 ]
3
[ [ 3.70979438, 0, 0 ], [ 0, 3.70979438, 0 ], [ 0, 0, 11.10386032 ] ]
agm003434111
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Ho", "Tm", "Tm", "Cd", "Cd", "Cd" ]
2023-11-16 06:57:59
[ 0.5, 0.16666666666666666, 0.3333333333333333 ]
[ [ 2.789095, 0, 0 ], [ 0, 2.789095, 0 ], [ 0, 0, 2.888597 ] ]
-18.149959
[ 0, 0, 0, 0, 0, 0 ]
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0.000297
4.995558
pbe
true
de07d50546d7c10e305e6eee048a89a3_123_Ho1Tm2Cd3
[ "Co", "Eu", "Sb" ]
6
ABC
CoEuSb
Eu2 Co2 Sb2
3
[ 1, 1, 1 ]
3
[ [ 4.39657012, 0, 0 ], [ -2.19828506, 3.80754141, 0 ], [ 0, 0, 8.50485154 ] ]
agm002206898
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Eu", "Sb", "Sb", "Co", "Co" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
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-45.711303
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[ [ 0, 0, 0.00318089 ], [ 0, 0, 0.00318089 ], [ 0, 0, 0.00243672 ], [ 0, 0, 0.00243672 ], [ 0, 0, -0.0056176 ], [ 0, 0, -0.0056176 ] ]
-10.846816
8.977452
pbe
true
459d08d501c32ddb20354a0a7f89ecf7_194_Eu2Co2Sb2
[ "Cr", "La", "Mg" ]
5
A3BC
Cr3LaMg
La1 Mg1 Cr3
3
[ 1, 1, 1 ]
3
[ [ 4.65922219, 0, 0 ], [ 0, 4.65922219, 0 ], [ 0, 0, 4.65922219 ] ]
agm002520906
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Cr", "Cr", "Cr", "Mg", "La" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 4.300418, 0, 0 ], [ 0, 4.300418, 0 ], [ 0, 0, 4.300418 ] ]
-26.633445
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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.145967
5.487201
pbe
true
edfdf5caf72c9adde17a1c3c7c610a11_221_La1Mg1Cr3
[ "Cr", "P", "Y" ]
4
A2BC
Cr2PY
Y1 Cr2 P1
3
[ 1, 1, 1 ]
3
[ [ 5.48999593, -0.00111785, -0.00070883 ], [ 4.0811579, 3.6720848, -0.00070883 ], [ 4.0811579, 1.56530718, 3.32174965 ] ]
agm004291915
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Cr", "Cr", "P", "Y" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.4780066, 0.00592835, 0.00375918 ], [ 0.00592835, 2.4648237, 0.00144181 ], [ 0.00375918, 0.00144181, 2.4634643 ] ]
-32.842354
[ 0.005, -0.004, 0, 0 ]
[ [ -0.00153287, -0.00058793, -0.00037281 ], [ 0.0002093, 0.00008028, 0.0000509 ], [ 0.00041649, 0.00015974, 0.00010129 ], [ 0.00090708, 0.00034791, 0.00022061 ] ]
0.000294
1.518013
pbe
true
da50199acdb561e01c74b67182e0eb3b_160_Y1Cr2P1
[ "Fe", "In", "Tm" ]
5
A3BC
FeInTm3
Tm3 In1 Fe1
3
[ 1, 1, 1 ]
3
[ [ 5.07011942, 0, 0 ], [ 0, 5.07011942, 0 ], [ 0, 0, 5.07011942 ] ]
agm001104774
[ [ 0, 2.53505971, 0 ], [ 0, 0, 2.53505971 ], [ 2.53505971, 0, 0 ], [ 0, 0, 0 ], [ 2.53505971, 2.53505971, 2.53505971 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Tm", "Tm", "Tm", "Fe", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 1.6834042, 0, 0 ], [ 0, 1.6834042, 0 ], [ 0, 0, 1.6834042 ] ]
-24.861137
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000091
4.135447
pbe
true
284d57d28e9f79049efc29bf2773c719_221_Tm3In1Fe1
[ "In", "P", "Sr" ]
8
A2BC
InPSr2
Sr4 In2 P2
3
[ 1, 1, 1 ]
3
[ [ 8.64265034, 0, 0 ], [ 0, 8.64265034, 0 ], [ 4.32132517, 4.32132517, 3.71830636 ] ]
agm002875139
[ [ 6.0292823595571665, 2.160662585, 0.92957659 ], [ 2.6133679804428325, 6.4819877550000005, 0.92957659 ], [ 6.481987755, 6.934693150442833, 2.78872977 ], [ 10.803312924999998, 10.350607529557166, 2.78872977 ], [ 4.32132517, 4.32132517, 0 ], [ 4.32132517, 8.64265034, 1.85915318 ], [ 0, 0, 0 ], [ 8.64265034, 4.32132517, 1.85915318 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Sr", "Sr", "Sr", "Sr", "P", "P", "In", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.1640445, 0, 0 ], [ 0, 1.1640445, 0 ], [ 0, 0, 1.7056485 ] ]
-26.349345
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.0086518, 0, 0 ], [ 0.0086518, 0, 0 ], [ 0, 0.0086518, 0 ], [ 0, -0.0086518, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.218473
pbe
true
fbdb34e23c0b78a0797e5b099579caf1_122_Sr4In2P2
[ "In", "Tc", "Y" ]
4
A2BC
In2TcY
Y1 In2 Tc1
3
[ 1, 1, 1 ]
3
[ [ 5.27685354, -0.00798882, 0.0126553 ], [ 3.98823822, 3.45531519, 0.0126553 ], [ 1.58650568, 0.59030207, 4.81831601 ] ]
agm004074240
[ [ 9.150692693581696, 3.404761122988749, 0.23778402739790852 ], [ 5.540197786418305, 2.061379467011251, 2.209339877602092 ], [ 2.71289936, 1.00940711, 1.2109066525 ], [ 8.13869808, 3.02822133, 3.6327199575 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "In", "In", "Tc", "Y" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 5.0901427, 0.21866833, 0.09383079 ], [ 0.21866833, 4.583808, 0.03491227 ], [ 0.09383126, 0.03491244, 4.5774016 ] ]
-22.597878
[ 0, 0, 0, 0 ]
[ [ -0.00341494, -0.00127062, -0.0003682 ], [ 0.00341494, 0.00127062, 0.0003682 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0.866649
pbe
true
95b78ad98184f2eaad8a8517f0bd578e_12_Y1In2Tc1
[ "Mg", "Mn", "O" ]
8
A2BC
MgMnO2
Mg2 Mn2 O4
3
[ 1, 1, 1 ]
3
[ [ 4.73326623, 0, 0 ], [ 0, 4.73326623, 0 ], [ 2.36663312, 2.36663312, 4.70976262 ] ]
agm002869682
[ [ 2.366633115, 2.366633115, 0 ], [ 2.3666331175, 4.7332662325, 2.35488131 ], [ 0, 0, 0 ], [ 4.7332662325, 2.3666331175, 2.35488131 ], [ 3.4650069039803806, 1.18331655875, 1.177440655 ], [ 1.2682593285196193, 3.5499496737499996, 1.177440655 ], [ 3.54994967625, 3.6348924460196192, 3.5323219650000004 ], [ 5.91658279125, 5.83164002148038, 3.5323219650000004 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Mg", "Mn", "Mn", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ -0.07459862, 0, 0 ], [ 0, -0.07459862, 0 ], [ 0, 0, 0.56029564 ] ]
-54.534855
[ 0.007, 0.007, 4.585, 4.585, 0.056, 0.056, 0.057, 0.057 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00003222, 0, 0 ], [ -0.00003222, 0, 0 ], [ 0, -0.00003222, 0 ], [ 0, 0.00003222, 0 ] ]
10
0
pbe
true
42f833b289697f9c8ca92211dae8d7bc_122_Mg2Mn2O4
[ "Pu", "Rb", "Se" ]
22
A6B4C
Pu4RbSe6
Rb2 Pu8 Se12
3
[ 1, 1, 1 ]
3
[ [ 4.20823235, 0, 0 ], [ -2.10411617, 6.98472823, 0 ], [ -9.9e-7, 0, 22.01154363 ] ]
agm006074738
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Rb", "Rb", "Pu", "Pu", "Pu", "Pu", "Pu", "Pu", "Pu", "Pu", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.36363636363636365, 0.09090909090909091, 0.5454545454545454 ]
[ [ 2.3957572, 0, -1e-7 ], [ 0, 2.422503, 0 ], [ -1e-7, 0, 2.2637892 ] ]
-189.266608
[ 0.002, 0.002, 5.249, -5.128, 5.249, -5.128, 5.249, 5.249, -5.128, -5.128, -0.049, -0.049, 0.041, 0.041, 0.041, 0.041, -0.032, -0.032, -0.032, -0.032, 0.143, 0.143 ]
[ [ 0, 0.00169658, 0 ], [ 0, -0.00169658, 0 ], [ 0, 0.00326128, 0.00053438 ], [ 0, 0.00193468, 0.00309344 ], [ 0, -0.00326128, -0.00053438 ], [ 0, -0.00193468, -0.00309344 ], [ 0, 0.00326128, -0.00053438 ], [ 0, -0.00326128, 0.00053438 ], [ 0, -0.00193468, 0.00309344 ], [ 0, 0.00193468, -0.00309344 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00009392, 0.00478056 ], [ 0, 0.00009392, -0.00478056 ], [ 0, 0.00009392, 0.00478056 ], [ 0, -0.00009392, -0.00478056 ], [ 0, -0.00370335, -0.00022989 ], [ 0, 0.00370335, 0.00022989 ], [ 0, 0.00370335, -0.00022989 ], [ 0, -0.00370335, 0.00022989 ], [ 0, 0.00113577, 0 ], [ 0, -0.00113577, 0 ] ]
1.099917
97.06466
pbe
true
77b258f70c9868cea2c21c3bbed46574_63_Rb2Pu8Se12
[ "Ru", "Sb", "Th" ]
4
A2BC
Ru2SbTh
Th1 Sb1 Ru2
3
[ 1, 1, 1 ]
3
[ [ 3.77358397, 0, 0 ], [ 0, 4.56574836, 0 ], [ 0, 0, 4.56574836 ] ]
agm001221748
[ [ 1.886791985, 0, 0 ], [ 1.886791985, 2.28287418, 2.28287418 ], [ 0, 0, 2.28287418 ], [ 0, 2.28287418, 0 ] ]
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Sb", "Th", "Ru", "Ru" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.8209364, 0, 0 ], [ 0, 3.9137712, 0 ], [ 0, 0, 3.9137712 ] ]
-31.523897
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000003
2.019572
pbe
true
b83767c726f16edc1942a8606bbe4a5c_123_Th1Sb1Ru2
[ "Ag", "Au", "I", "Mo" ]
5
A2BCD
AgAu2IMo
Ag1 Mo1 Au2 I1
4
[ 1, 1, 1 ]
3
[ [ 5.15659292, 0, 0 ], [ 0, 5.45495786, 0 ], [ 0, 0, 5.15659292 ] ]
agm001568560
[ [ 0, 2.72747893, 0 ], [ 2.57829646, 2.72747893, 2.57829646 ], [ 0, 0, 2.57829646 ], [ 2.57829646, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "I", "Mo", "Au", "Au", "Ag" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 4.429127, 0, 0 ], [ 0, 3.9393399, 0 ], [ 0, 0, 4.429127 ] ]
-15.455261
[ -0.026, 3.838, -0.038, -0.046, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.599074
2.113776
pbe
true
33db9e732a6105e94111374065168861_123_Ag1Mo1Au2I1