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[ "Co", "Li", "N", "Te" ]
5
A2BCD
CoLiN2Te
Li1 Co1 Te1 N2
4
[ 1, 1, 1 ]
3
[ [ 3.6530454, 0, 0 ], [ 0, 3.6530454, 0 ], [ 0, 0, 5.48697568 ] ]
agm001738340
[ [ 0, 0, 2.74348784 ], [ 0, 0, 0 ], [ 1.8265227, 1.8265227, 2.74348784 ], [ 0, 1.8265227, 0 ], [ 1.8265227, 0, 0 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"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"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Te", "Co", "Li", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -0.08576082, 0, 0 ], [ 0, -0.08576082, 0 ], [ 0, 0, 0.48097107 ] ]
-25.11032
[ 0, -0.006, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.006798
3.955823
pbe
true
456875b2ccfa62c9c1665456efee0aa6_123_Li1Co1Te1N2
[ "Co", "Li", "Np", "S" ]
15
A8B3C3D
CoLi3Np3S8
Li3 Np3 Co1 S8
4
[ 1, 1, 1 ]
3
[ [ 7.53763794, -0.00009867, -0.0001544 ], [ -3.76890393, 6.52787483, -0.02346646 ], [ -0.00007217, -4.32990184, 6.20832561 ] ]
agm004694484
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
[ "Li", "Li", "Li", "Np", "Np", "Np", "Co", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.06666666666666667, 0.2, 0.2, 0.5333333333333333 ]
[ [ 0.3866083, 0.0041349, 0.00202066 ], [ 0.00413478, 0.38125828, -0.0027921 ], [ 0.00202074, -0.00279199, 0.35849425 ] ]
-101.797817
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11.000271
25.80185
pbe
true
56f5ee8bf66a1ca679a219097326cc8e_166_Li3Np3Co1S8
[ "Co", "Li", "Pt", "Sc" ]
4
ABCD
CoLiPtSc
Li1 Sc1 Co1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.32750887, 0, 0 ], [ 2.16375444, 3.74773262, 0 ], [ 2.16375444, 1.24924421, 3.5333962 ] ]
agm001909758
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Sc", "Co", "Pt", "Li" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.7247095, 0, 0 ], [ 0, 4.7247095, 0 ], [ 0, 0, 4.7247095 ] ]
-23.085244
[ -0.2, 0.873, 0.083, -0.026 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.581883
4.792719
pbe
true
940c815b1f68e4071ebd330221fea12c_216_Li1Sc1Co1Pt1
[ "Co", "Lu", "Ni", "Zr" ]
4
ABCD
CoLuNiZr
Lu1 Zr1 Co1 Ni1
4
[ 1, 1, 1 ]
3
[ [ 4.58305111, 0, 0 ], [ 2.29152555, 3.96903868, 0 ], [ 2.29152555, 1.32301289, 3.74204556 ] ]
agm001359255
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Ni", "Lu", "Co", "Zr" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -2.6918855, 0, 0 ], [ 0, -2.6918855, 0 ], [ 0, 0, -2.6918855 ] ]
-27.297404
[ -0.046, 0.05, -0.581, 0.064 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.481463
3.451311
pbe
true
16fc95255ae6448f915f329c52463e5a_216_Lu1Zr1Co1Ni1
[ "Co", "Lu", "Pt", "Tm" ]
4
ABCD
CoLuPtTm
Tm1 Lu1 Co1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.76271581, 0, 0 ], [ 2.38135791, 4.12463288, 0 ], [ 2.38135791, 1.37487763, 3.88874118 ] ]
agm001304127
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Co", "Lu", "Tm", "Pt" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.7788146, 0, 0 ], [ 0, 2.7788146, 0 ], [ 0, 0, 2.7788146 ] ]
-25.172327
[ 0.745, -0.094, -0.112, 0.043 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.53801
2.35247
pbe
true
ea83a06f5a8f539cf51fa174816e97ef_216_Tm1Lu1Co1Pt1
[ "Co", "Mg", "Na", "W" ]
4
ABCD
CoMgNaW
Co1 Mg1 Na1 W1
4
[ 1, 1, 1 ]
3
[ [ 0, 3.103972, 3.103972 ], [ 3.103972, 0, 3.103972 ], [ 3.103972, 3.103972, 0 ] ]
oqmd-2925301
[ [ 0, 0, 0 ], [ 4.655960000000002, 4.655960000000002, 4.655960000000002 ], [ 3.1039799999999977, 3.1039799999999977, 3.1039799999999977 ], [ 1.5519899999999989, 1.5519899999999989, 1.5519899999999989 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Co", "Mg", "Na", "W" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -33.08615, 0, 0 ], [ 0, -33.08615, 0 ], [ 0, 0, -33.08615 ] ]
-19.8213
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.008886
null
pbe
true
5f368c478b10914d8455797b84d54705_216_Na1Mg1Co1W1
[ "Co", "Mg", "Mn", "Rh" ]
4
ABCD
CoMgMnRh
Mg1 Mn1 Co1 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.23670397, 0, 0 ], [ 2.11835198, 3.66909326, 0 ], [ 2.11835198, 1.22303109, 3.4592543 ] ]
agm001399081
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Co", "Mg", "Mn", "Rh" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 6.641702, 0, 0 ], [ 0, 6.641702, 0 ], [ 0, 0, 6.641702 ] ]
-25.498851
[ 0.144, -0.017, 3.1, 0.154 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.362658
6.529207
pbe
true
76c3f4509f8101b641be2e557ce438c0_216_Mg1Mn1Co1Rh1
[ "Co", "Mg", "Pa", "Tc" ]
4
ABCD
CoMgPaTc
Mg1 Pa1 Co1 Tc1
4
[ 1, 1, 1 ]
3
[ [ 4.58044306, 0, 0 ], [ 2.29022153, 3.96678005, 0 ], [ 2.29022153, 1.32226002, 3.7399161 ] ]
agm001399908
[ [ 4.58044306, 2.644520035, 1.86995805 ], [ 0, 0, 0 ], [ 2.29022153, 1.3222600175, 0.934979025 ], [ 6.8706645900000005, 3.9667800525, 2.804937075 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Pa", "Co", "Tc" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.3537178, 0, 0 ], [ 0, 2.3537178, 0 ], [ 0, 0, 2.3537178 ] ]
-29.008281
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000085
1.579174
pbe
true
a8a2295c09909eb46622b25150761da3_216_Mg1Pa1Co1Tc1
[ "Co", "Mn", "Zn", "Zr" ]
5
A2BCD
CoMnZnZr2
Zr2 Mn1 Zn1 Co1
4
[ 1, 1, 1 ]
3
[ [ 4.81350391, 0, 0 ], [ 0, 4.13731095, 0 ], [ 0, 0, 4.81350391 ] ]
agm001567938
[ [ 2.406751955, 2.068655475, 2.406751955 ], [ 0, 0, 0 ], [ 0, 2.068655475, 0 ], [ 0, 0, 2.406751955 ], [ 2.406751955, 0, 0 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Mn", "Co", "Zr", "Zr" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 2.4951527, 0, 0 ], [ 0, 7.0044985, 0 ], [ 0, 0, 2.4951527 ] ]
-32.397042
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.903122
pbe
true
d4cbdf286b209947392277d84e36186a_123_Zr2Mn1Zn1Co1
[ "Co", "N", "Ta", "Te" ]
5
A2BCD
CoNTaTe2
Ta1 Co1 Te2 N1
4
[ 1, 1, 1 ]
3
[ [ 5.2057089, 0, 0 ], [ 0, 5.2057089, 0 ], [ 0, 0, 3.40063995 ] ]
agm001802382
[ [ 0, 0, 1.700319975 ], [ 0, 2.60285445, 0 ], [ 2.60285445, 0, 0 ], [ 0, 0, 0 ], [ 2.60285445, 2.60285445, 1.700319975 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"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"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "N", "Te", "Te", "Co", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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-30.763494
[ 0.045, -0.024, -0.024, 0.071, 0.808 ]
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1.267671
4.077846
pbe
true
0739094036e51e3dbb4d0d8855f29fad_123_Ta1Co1Te2N1
[ "Co", "Nb", "Rh", "Ti" ]
4
ABCD
CoNbRhTi
Ti1 Nb1 Co1 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.39311248, 0, 0 ], [ 2.19655624, 3.80454701, 0 ], [ 2.19655624, 1.26818234, 3.58696132 ] ]
agm001294409
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[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Co", "Nb", "Rh", "Ti" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 6.3848243, 0, 0 ], [ 0, 6.3848243, 0 ], [ 0, 0, 6.3848243 ] ]
-33.634038
[ 1.174, 0.144, 0.04, 0.056 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.417283
5.25445
pbe
true
100c084ea98a90bb2bd962bb6cbadef7_216_Ti1Nb1Co1Rh1
[ "Co", "Na", "Nb", "O" ]
5
A2BCD
Co2NaNbO
Na1 Nb1 Co2 O1
4
[ 1, 1, 1 ]
3
[ [ 4.46021105, 0, 0 ], [ 0, 6.70062103, 0 ], [ 0, 0, 4.46021105 ] ]
agm001579428
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Na", "Nb", "Co", "Co", "O" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ -0.43251446, 0, 0 ], [ 0, 1.0172782, 0 ], [ 0, 0, -0.43251446 ] ]
-17.769999
[ -0.018, -0.969, 1.533, 1.255, 0.815 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.599438
5.209
pbe
true
52db198152f3f0c334c9eb1a9cc622f2_123_Na1Nb1Co2O1
[ "Co", "Nd", "O", "Ru" ]
12
A8B2CD
CoNd2O8Ru
Nd2 Co1 Ru1 O8
4
[ 1, 1, 1 ]
3
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agm004899504
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[ "Nd", "Nd", "Co", "Ru", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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2.837792
3.769493
pbe
true
01b235ad8bc4430744f5a028196e70b0_2_Nd2Co1Ru1O8
[ "Co", "Ni", "Sn", "Ta" ]
4
ABCD
CoNiSnTa
Co1 Ni1 Sn1 Ta1
4
[ 1, 1, 1 ]
3
[ [ 0, 3.079707, 3.079707 ], [ 3.079707, 0, 3.079707 ], [ 3.079707, 3.079707, 0 ] ]
oqmd-2469679
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[ "Co", "Ni", "Sn", "Ta" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.39672, 0, 0 ], [ 0, 4.39672, 0 ], [ 0, 0, 4.39672 ] ]
-29.1933
[ 0.103, -0.023, -0.001, -0.016 ]
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0.054704
null
pbe
true
763219f317ce2ed2927fb97477b5b542_216_Ta1Co1Ni1Sn1
[ "Co", "Ni", "Sc", "V" ]
5
A2BCD
CoNiSc2V
Sc2 V1 Co1 Ni1
4
[ 1, 1, 1 ]
3
[ [ 4.82801991, 0, 0 ], [ 0, 4.27807372, 0 ], [ 0, 0, 4.82801991 ] ]
agm001500273
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"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": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Sc", "Sc", "Ni", "Co", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-31.821735
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3.074168
6.740338
pbe
true
e4d259082ed1aae1c9e422c4a9359607_123_Sc2V1Co1Ni1
[ "Co", "Np", "Pt", "Si" ]
10
A4B3C2D
CoNp2Pt4Si3
Np2 Co1 Si3 Pt4
4
[ 1, 1, 1 ]
3
[ [ 4.13256202, 0, 0 ], [ 0, 4.13256202, 0 ], [ 0, 0, 10.18203003 ] ]
agm004515275
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[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Np", "Np", "Co", "Si", "Si", "Si", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.4, 0.3 ]
[ [ 4.733104, 0, 0 ], [ 0, 4.733104, 0 ], [ 0, 0, 5.195502 ] ]
-79.436544
[ 3.708, 3.708, 1.333, -0.004, -0.01, -0.01, 0.06, 0.066, 0.027, 0.027 ]
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9.359327
27.882685
pbe
true
a747c46fdba601b32d8bd15dde125cd3_115_Np2Co1Si3Pt4
[ "Co", "O", "Pm", "Ti" ]
20
A6B2CD
CoO6Pm2Ti
Pm4 Ti2 Co2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.44102612, 0, 0.00097568 ], [ 0, 5.72286118, 0 ], [ 0.05023005, 0, 7.80017483 ] ]
agm004947601
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[ "Pm", "Pm", "Pm", "Pm", "Ti", "Ti", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
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6.074585
0
pbe
true
fb1890c115ff6ce8cfe311f4c4e601c1_14_Pm4Ti2Co2O12
[ "Co", "O", "Pr", "Pt" ]
10
A6B2CD
CoO6Pr2Pt
Pr2 Co1 Pt1 O6
4
[ 1, 1, 1 ]
3
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agm003269828
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[ "Pr", "Pr", "Co", "O", "O", "O", "O", "O", "O", "Pt" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
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-71.10403
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2.959848
0
pbe
true
cf83d76482e5d4cfe43b4dc0158d320a_2_Pr2Co1Pt1O6
[ "Co", "O", "Ru", "W" ]
5
A2BCD
Co2ORuW
Co2 Ru1 W1 O1
4
[ 1, 1, 1 ]
3
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agm001430939
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[ "Ru", "Co", "Co", "O", "W" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
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-26.225901
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5.365582
6.124665
pbe
true
c5df2ffb3a4a861df375873767ff332a_123_Co2Ru1W1O1
[ "Co", "O", "Tm", "V" ]
12
A8B2CD
CoO8TmV2
Tm1 V2 Co1 O8
4
[ 1, 1, 1 ]
3
[ [ 5.70577414, 0, 0 ], [ -2.85288708, 4.94134536, 0 ], [ 0, 0, 5.59927448 ] ]
agm004916565
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[ "Tm", "V", "V", "Co", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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-0.000038
0
pbe
true
4afa304fb5228a758cc2dab6de546a60_164_Tm1V2Co1O8
[ "Co", "O", "W", "Y" ]
24
A8B2CD
CoO8W2Y
Y2 Co2 W4 O16
4
[ 1, 1, 1 ]
3
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agm005271994
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2023-11-16 06:57:59
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7.999912
0
pbe
true
f4cd53297bf31a8e900f378e714554ba_3_Y2Co2W4O16
[ "Co", "P", "Pa", "Tc" ]
10
A4B3C2D
Co3P4Pa2Tc
Pa2 Co3 Tc1 P4
4
[ 1, 1, 1 ]
3
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agm004539556
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[ "Pa", "Pa", "Co", "Co", "Co", "Tc", "P", "P", "P", "P" ]
2023-11-16 06:57:59
[ 0.3, 0.4, 0.2, 0.1 ]
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-82.252216
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-0.000127
3.280874
pbe
true
38ffee24a58c8d69dc0b88d5a08f22db_115_Pa2Co3Tc1P4
[ "Co", "P", "Rh", "Sm" ]
5
A2BCD
CoP2RhSm
Sm1 Co1 P2 Rh1
4
[ 1, 1, 1 ]
3
[ [ 3.97257572, 0, 0 ], [ 0, 3.97257572, 0 ], [ -1.98628786, -1.98628785, 4.86171183 ] ]
agm005022892
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[ "Sm", "Co", "P", "P", "Rh" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-35.013358
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1.026432
2.836312
pbe
true
cb0703eb49a36821981b9a23bde86d74_119_Sm1Co1P2Rh1
[ "Co", "Pt", "Re", "V" ]
5
A2BCD
CoPtRe2V
V1 Co1 Re2 Pt1
4
[ 1, 1, 1 ]
3
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agm001565167
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Re", "Re", "Co", "Pt", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-40.084814
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0.020376
8.177487
pbe
true
e89ab871981275f63af4fe78c24ba7f0_123_V1Co1Re2Pt1
[ "Co", "Pt", "Tb", "Y" ]
4
ABCD
CoPtTbY
Tb1 Y1 Co1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.86658794, 0, 0 ], [ 2.43329397, 4.21458878, 0 ], [ 2.43329397, 1.40486293, 3.97355241 ] ]
agm001296499
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Co", "Tb", "Pt" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.367968, 0, 0 ], [ 0, 2.367968, 0 ], [ 0, 0, 2.367968 ] ]
-26.804022
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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.395767
2.909619
pbe
true
7ff4bf8848f399869cc51af386331888_216_Tb1Y1Co1Pt1
[ "Co", "Ru", "Sm", "Y" ]
4
ABCD
CoRuSmY
Sm1 Y1 Co1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 4.23798822, 0, 0 ], [ 0, 4.04565015, 0 ], [ -2.11899411, 0, 5.16395497 ] ]
agm005206427
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Sm", "Y", "Co", "Ru" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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-28.333627
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0.727493
3.737519
pbe
true
0e3209328a458e842ad46bdde848ca99_38_Sm1Y1Co1Ru1
[ "Co", "Tb", "Tl", "Y" ]
4
ABCD
CoTbTlY
Tb1 Y1 Tl1 Co1
4
[ 1, 1, 1 ]
3
[ [ 5.12490952, 0, 0 ], [ 2.56245476, 4.43830184, 0 ], [ 2.56245476, 1.47943395, 4.1844711 ] ]
agm001320383
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Co", "Tl", "Tb" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.6434882, 0, 0 ], [ 0, 2.6434882, 0 ], [ 0, 0, 2.6434882 ] ]
-21.082929
[ -0.092, 1.49, 0.044, -0.107 ]
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1.260283
2.19691
pbe
true
e96746a249b35cfba3b524da52645fff_216_Tb1Y1Tl1Co1
[ "Cr", "Fe", "Ga", "Se" ]
14
A8B3C2D
CrFe2Ga3Se8
Cr1 Ga3 Fe2 Se8
4
[ 1, 1, 1 ]
3
[ [ 3.83136452, 0, 0 ], [ 0, 6.71686888, -0.00154538 ], [ 0, 2.2407406, 13.25447753 ] ]
agm005250024
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Cr", "Ga", "Ga", "Ga", "Fe", "Fe", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.07142857142857142, 0.14285714285714285, 0.21428571428571427, 0.5714285714285714 ]
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-67.633402
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10.873609
9.047931
pbe
true
6491d299c6a90dd3f94f2d43dff9b817_6_Cr1Ga3Fe2Se8
[ "Cr", "Fe", "Li", "N" ]
5
A2BCD
CrFe2LiN
Li1 Cr1 Fe2 N1
4
[ 1, 1, 1 ]
3
[ [ 3.80693434, 0, 0 ], [ 0, 3.80693434, 0 ], [ 0, 0, 3.82251122 ] ]
agm001657151
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Cr", "Li", "Fe", "Fe", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.6542534, 0, 0 ], [ 0, 1.6542534, 0 ], [ 0, 0, 1.1708164 ] ]
-36.832055
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5.657428
5.312294
pbe
true
d19a8c2ec8e33cb291dc53ab8e7ea1a7_123_Li1Cr1Fe2N1
[ "Cr", "Fe", "Mg", "Mn" ]
5
A2BCD
CrFe2MgMn
Mg1 Mn1 Cr1 Fe2
4
[ 1, 1, 1 ]
3
[ [ 4.16458079, 0, 0 ], [ 0, 4.54394601, 0 ], [ 0, 0, 4.16458079 ] ]
agm001551705
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Cr", "Mg", "Mn", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 6.7755046, 0, 0 ], [ 0, 6.828408, 0 ], [ 0, 0, 6.7755046 ] ]
-30.117208
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3.118439
10.734159
pbe
true
4a4db5059f18e67c9f3d9b5111ab78a8_123_Mg1Mn1Cr1Fe2
[ "Cr", "Fe", "N", "Se" ]
5
A2BCD
CrFeN2Se
Cr1 Fe1 Se1 N2
4
[ 1, 1, 1 ]
3
[ [ 3.54489211, 0, 0 ], [ 0, 3.54489211, 0 ], [ 0, 0, 5.32088949 ] ]
agm001733603
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Cr", "Fe", "Se", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.72816885, 0, 0 ], [ 0, 0.72816885, 0 ], [ 0, 0, 1.2187881 ] ]
-32.91999
[ 0.547, -0.145, 0.012, -0.073, -0.073 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.262512
8.443562
pbe
true
6a220156984ca0144b243b17598f1101_123_Cr1Fe1Se1N2
[ "Cr", "Ga", "Ge", "O" ]
10
A6B2CD
Cr2GaGeO6
Cr2 Ga1 Ge1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.21843999, 0.07632582, -0.19598157 ], [ 2.67371345, 4.41027174, -0.18400411 ], [ 2.45727355, 1.4054239, 4.52416247 ] ]
agm004947119
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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": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Cr", "Cr", "Ga", "Ge", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.1, 0.6 ]
[ [ 1.5010389, 0.09144902, -0.2132396 ], [ 0.09144885, 1.1688839, -0.16784604 ], [ -0.21323955, -0.167846, 1.5089086 ] ]
-69.63037
[ 3.766, 3.051, 0.019, 0.031, -0.038, -0.032, -0.004, -0.024, -0.027, 0.007 ]
[ [ 0.00071887, 0.00060883, -0.00143907 ], [ -0.00448374, -0.00111357, 0.00324724 ], [ -0.0031305, -0.00114139, -0.00134316 ], [ 0.00399938, 0.00072564, -0.00147337 ], [ -7.9e-7, -0.00091402, -0.0010427 ], [ 0.00164299, -0.00065415, 0.00156286 ], [ 0.00075412, 0.00004796, 0.00007857 ], [ 0.0009313, -0.00016931, -0.00032134 ], [ 0.0005908, 0.00327797, -0.00080989 ], [ -0.00102242, -0.00066796, 0.00154085 ] ]
7.000624
0.60256
pbe
true
7633fe23e7a463d7d68c1f27eda60673_1_Cr2Ga1Ge1O6
[ "Cr", "Ga", "La", "N" ]
5
A2BCD
CrGaLa2N
La2 Cr1 Ga1 N1
4
[ 1, 1, 1 ]
3
[ [ 5.30530773, 0, 0 ], [ 0, 5.30530773, 0 ], [ 0, 0, 3.81285653 ] ]
agm001623636
[ [ 0, 0, 1.906428265 ], [ 0, 0, 0 ], [ 2.652653865, 2.652653865, 1.906428265 ], [ 0, 2.652653865, 0 ], [ 2.652653865, 0, 0 ] ]
[{"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": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Cr", "N", "Ga", "La", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.42628157, 0, 0 ], [ 0, 0.42628157, 0 ], [ 0, 0, 0.16732624 ] ]
-34.02508
[ 2.425, -0.101, -0.043, -0.067, -0.067 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.132129
3.927514
pbe
true
32957b9071f64cf04a5b696141958de5_123_La2Cr1Ga1N1
[ "Cr", "Ga", "Sc", "Tl" ]
5
A2BCD
CrGa2ScTl
Sc1 Tl1 Cr1 Ga2
4
[ 1, 1, 1 ]
3
[ [ 5.19603918, 0, 0 ], [ 0, 5.44854671, 0 ], [ 0, 0, 5.19603918 ] ]
agm001477570
[ [ 0, 2.724273355, 0 ], [ 2.59801959, 2.724273355, 2.59801959 ], [ 0, 0, 0 ], [ 0, 0, 2.59801959 ], [ 2.59801959, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sc", "Cr", "Tl", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.9695411, 0, 0 ], [ 0, 5.2396426, 0 ], [ 0, 0, 1.9695411 ] ]
-19.210054
[ -0.044, 4.122, 0.002, -0.022, -0.029 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.604943
4.01049
pbe
true
9686997436eee0b9231bd3320a21ccdd_123_Sc1Tl1Cr1Ga2
[ "Cr", "Ga", "Mo", "Sc" ]
5
A2BCD
Cr2GaMoSc
Sc1 Cr2 Ga1 Mo1
4
[ 1, 1, 1 ]
3
[ [ 4.33647617, 0, 0 ], [ 0, 4.87498806, 0 ], [ 0, 0, 4.33647617 ] ]
agm001485962
[ [ 0, 0, 0 ], [ 0, 0, 2.168238085 ], [ 2.168238085, 0, 0 ], [ 2.168238085, 2.43749403, 2.168238085 ], [ 0, 2.43749403, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sc", "Cr", "Cr", "Mo", "Ga" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 4.998047, 0, 0 ], [ 0, 6.2949114, 0 ], [ 0, 0, 4.998047 ] ]
-30.94247
[ -0.067, 1.969, 2.678, -2.178, -0.034 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.263108
4.419031
pbe
true
b0f1629a0f10eb953ac6957c0c72fd73_123_Sc1Cr2Ga1Mo1
[ "Cr", "H", "P", "S" ]
8
ABCD
CrHPS
Cr2 P2 H2 S2
4
[ 1, 1, 1 ]
3
[ [ 5.66189336, 0, -0.00141084 ], [ 0, 2.99172616, 0 ], [ -5.5849944, 0, 5.91049847 ] ]
agm002083544
[ [ 4.337324004250526, 0, 0.11854010355196601 ], [ 1.544826804250526, 1.49586308, 3.073789338551966 ], [ 0.3968992258435837, 0, 1.65272891070574 ], [ -2.395597974156417, 1.49586308, 4.60797814570574 ], [ 1.6159125450087408, 0, 3.9911155455059006 ], [ 4.408409745008741, 1.49586308, 1.0358663105059005 ], [ 2.5339801753795483, 0, 1.5868032590103938 ], [ -0.2585170246204513, 1.49586308, 4.5420524940103935 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"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"]}]
[ "Cr", "Cr", "P", "P", "H", "H", "S", "S" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.646915, 0, 0.00273576 ], [ 0, 4.2099304, 0 ], [ 0.00273627, 0, 4.6934977 ] ]
-45.931548
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00105161, 0, 0.0007299 ], [ -0.00105161, 0, 0.0007299 ], [ 0.00826889, 0, 0.00235257 ], [ 0.00826889, 0, 0.00235257 ], [ 0.00013108, 0, -0.0066392 ], [ 0.00013108, 0, -0.0066392 ], [ -0.00734836, 0, 0.00355673 ], [ -0.00734836, 0, 0.00355673 ] ]
0.000002
1.746768
pbe
true
cfb502fbc97a351129071663c16fadbb_8_Cr2P2H2S2
[ "Cr", "Hf", "Pb", "Zn" ]
5
A2BCD
CrHfPb2Zn
Hf1 Zn1 Cr1 Pb2
4
[ 1, 1, 1 ]
3
[ [ 5.12668782, 0, 0 ], [ 0, 4.74211478, 0 ], [ 0, 0, 5.12668782 ] ]
agm001443877
[ [ 0, 0, 2.56334391 ], [ 2.56334391, 0, 0 ], [ 0, 0, 0 ], [ 0, 2.37105739, 0 ], [ 2.56334391, 2.37105739, 2.56334391 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pb", "Pb", "Cr", "Zn", "Hf" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 4.7913804, 0, 0 ], [ 0, 3.997927, 0 ], [ 0, 0, 4.7913804 ] ]
-23.957075
[ -0.027, -0.07, 2.325, 0.003, 0.142 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.57259
4.518964
pbe
true
2e064b9d26df513c685986392749a555_123_Hf1Zn1Cr1Pb2
[ "Cr", "Hg", "Mn", "O" ]
9
A6BCD
CrHgMnO6
Mn1 Cr1 Hg1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.03085776, -0.00006284, 0.01329437 ], [ 2.51560887, 4.36015212, 0.00967658 ], [ -0.00014743, -0.00288417, 4.81590093 ] ]
agm005094671
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"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"]}]
[ "Mn", "Cr", "Hg", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.1111111111111111, 0.6666666666666666 ]
[ [ 1.8163295, -0.00495003, -0.047248 ], [ -0.00494951, 1.7314844, 0.00482912 ], [ -0.04724779, 0.0048294, 1.484304 ] ]
-52.969528
[ 3.14, 1.564, -0.078, -0.249, -0.247, -0.249, -0.249, -0.249, -0.247 ]
[ [ -0.00021582, -0.00191978, 0.00209639 ], [ -0.00015233, 0.00026674, 0.00174112 ], [ -0.00012426, 0.00148214, -0.00043602 ], [ 0.00149303, -0.00972503, -0.00448218 ], [ -0.00395636, 0.00769032, 0.00807128 ], [ -0.00151798, -0.00930272, 0.00322133 ], [ 0.01023408, 0.00194908, 0.00342137 ], [ -0.01038663, 0.00234194, -0.00481185 ], [ 0.00462627, 0.00721731, -0.00882144 ] ]
2.995472
3.213772
pbe
true
59a5a64d05e927b622b4209cd7ddc82a_149_Mn1Cr1Hg1O6
[ "Cr", "Hg", "Rh", "V" ]
5
A2BCD
CrHgRhV2
V2 Cr1 Hg1 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.55345482, 0, 0 ], [ 0, 5.05396542, 0 ], [ 0, 0, 4.55345482 ] ]
agm001520342
[ [ 2.27672741, 2.52698271, 2.27672741 ], [ 0, 0, 0 ], [ 0, 2.52698271, 0 ], [ 0, 0, 2.27672741 ], [ 2.27672741, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Cr", "Rh", "Hg", "V", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 7.4819236, 0, 0 ], [ 0, 5.7026663, 0 ], [ 0, 0, 7.4819236 ] ]
-27.986767
[ -0.304, 0.083, 0, -1.429, -1.899 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-4.034928
10.440594
pbe
true
31cca4f44347a9b4794e5abfa0f28de4_123_V2Cr1Hg1Rh1
[ "Cr", "I", "S", "Te" ]
5
A2BCD
CrI2STe
Cr1 Te1 S1 I2
4
[ 1, 1, 1 ]
3
[ [ 5.48593029, 0, 0 ], [ 0, 5.48593029, 0 ], [ 0, 0, 5.40866662 ] ]
agm001716328
[ [ 0, 2.742965145, 0 ], [ 2.742965145, 0, 0 ], [ 2.742965145, 2.742965145, 2.70433331 ], [ 0, 0, 0 ], [ 0, 0, 2.70433331 ] ]
[{"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": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "I", "Cr", "S", "Te" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.9867473, 0, 0 ], [ 0, 0.9867473, 0 ], [ 0, 0, 0.9799327 ] ]
-16.427264
[ -0.11, -0.11, 4.25, -0.134, -0.202 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.968478
7.146061
pbe
true
a05bc88821d58808795bcfdd08ebf832_123_Cr1Te1S1I2
[ "Cr", "In", "S", "Sn" ]
14
A8B3C2D
Cr3InS8Sn2
Cr3 In1 Sn2 S8
4
[ 1, 1, 1 ]
3
[ [ 7.00630299, 0, 0 ], [ 3.5031515, 6.06763638, 0 ], [ 3.50315149, 2.02254546, 6.63964567 ] ]
agm004670798
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"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"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "Cr", "Cr", "Cr", "In", "Sn", "Sn", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.21428571428571427, 0.07142857142857142, 0.5714285714285714, 0.14285714285714285 ]
[ [ 2.1391034, 0, 0 ], [ 0, 2.1391034, 0 ], [ 0, 0, 2.0231705 ] ]
-78.673697
[ 1.212, 1.212, 1.212, -0.022, -0.001, -0.039, -0.101, -0.069, -0.058, -0.058, -0.058, -0.045, -0.045, -0.045 ]
[ [ 0, 0.0060675, 0.00198072 ], [ 0.00525461, -0.00303375, 0.00198072 ], [ -0.00525461, -0.00303375, 0.00198072 ], [ 0, 0, -0.00127 ], [ 0, 0, 0.00914167 ], [ 0, 0, 0.00063941 ], [ 0, 0, -0.00607233 ], [ 0, 0, -0.00079347 ], [ 0.00192492, 0.00111135, 0.00025518 ], [ -0.00192492, 0.00111135, 0.00025518 ], [ 0, -0.00222271, 0.00025518 ], [ 0, -0.00062201, -0.00278433 ], [ -0.00053868, 0.00031101, -0.00278433 ], [ 0.00053868, 0.00031101, -0.00278433 ] ]
3.140047
2.021503
pbe
true
99cfaa301d14e91119c11dd7d37b1aeb_160_Cr3In1Sn2S8
[ "Cr", "La", "O", "Tb" ]
12
A8B2CD
Cr2LaO8Tb
La1 Tb1 Cr2 O8
4
[ 1, 1, 1 ]
3
[ [ 6.12169084, -0.01950119, 0 ], [ -2.73258919, 5.47799557, 0 ], [ -1.69455083, -2.72924719, 5.21106385 ] ]
agm004890081
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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": "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"]}]
[ "La", "Tb", "Cr", "Cr", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.08333333333333333, 0.6666666666666666, 0.08333333333333333 ]
[ [ 0.74787223, -0.07350304, 0 ], [ -0.07350304, 0.67512506, 0 ], [ 0, 0, 0.79350924 ] ]
-92.148757
[ 0.009, 0.005, 1.115, 1.03, -0.029, -0.017, -0.017, -0.029, -0.017, -0.029, -0.029, -0.017 ]
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2
-0.068689
pbe
true
b14b56db0a9cc3af3204fa597230beba_119_La1Tb1Cr2O8
[ "Cr", "Li", "N", "Ni" ]
5
A2BCD
CrLiNNi2
Li1 Cr1 Ni2 N1
4
[ 1, 1, 1 ]
3
[ [ 3.80961723, 0, 0 ], [ 0, 3.80961723, 0 ], [ 0, 0, 3.77677811 ] ]
agm001625821
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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": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Ni", "Ni", "N", "Li", "Cr" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.89044213, 0, 0 ], [ 0, 0.89044213, 0 ], [ 0, 0, 1.2413706 ] ]
-32.014696
[ 0.093, 0.093, -0.096, -0.003, 2.092 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.327928
3.148162
pbe
true
17cdf776894c1295ce66e15360aff745_123_Li1Cr1Ni2N1
[ "Cr", "Li", "Pm", "Sn" ]
4
ABCD
CrLiPmSn
Li1 Pm1 Cr1 Sn1
4
[ 1, 1, 1 ]
3
[ [ 4.89679706, 0, 0 ], [ 2.44839853, 4.24075065, 0 ], [ 2.44839853, 1.41358355, 3.99821806 ] ]
agm001335815
[ [ 0, 0, 0 ], [ 4.89679706, 2.8271671, 1.99910903 ], [ 2.44839853, 1.41358355, 0.999554515 ], [ 7.345195589999999, 4.24075065, 2.9986635450000003 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Cr", "Li", "Sn", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.8801122, 0, 0 ], [ 0, 2.8801122, 0 ], [ 0, 0, 2.8801122 ] ]
-20.901678
[ 3.52, -0.042, -0.056, 0.121 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.995339
1.535073
pbe
true
08700895d170122fe4cb271f4ec6393a_216_Li1Pm1Cr1Sn1
[ "Cu", "Li", "O", "P" ]
28
A4BCD
CuLiO4P
Cu4 Li4 O16 P4
4
[ 1, 1, 1 ]
3
[ [ 5.01813175, 0, 0.0045092 ], [ 0, 9.7143285, 0 ], [ -0.002014, 0, 6.90568445 ] ]
mp-26467
[ [ 3.523996158066523, 3.207768899701425, 3.34829566177871 ], [ 1.4921215919334778, 6.5065596002985755, 3.56189798822129 ], [ 1.0139232830665226, 1.649395350298575, 6.79888328677871 ], [ 4.002194466933478, 8.064933149701426, 0.11131036322129 ], [ 1.163955600342025, 1.26530061288036, 3.3774837663551343 ], [ 3.672014475342025, 3.5918636371196397, 6.832580591355135 ], [ 3.852162149657975, 8.449027887119641, 3.532709883644865 ], [ 1.3441032746579749, 6.122464862880361, 0.07761305864486549 ], [ 1.5117029376645226, 8.796049152680311, 1.705369896299386 ], [ 3.5044148123354777, 0.9182793473196901, 5.204823753700614 ], [ 0.9963559373354777, 3.9388849026803103, 1.7497269287006143 ], [ 4.019761812664522, 5.77544359731969, 5.160466721299386 ], [ 1.6145166369759776, 3.171058646586495, 2.942573230015268 ], [ 0.54137050781631, 6.0444336449145455, 5.196115841249071 ], [ 4.474747242183691, 3.669894855085455, 1.714077808750929 ], [ 3.716401113065213, 4.256708102498385, 4.9811873447735 ], [ 4.122575511975978, 1.6861056034135051, 6.397670055015269 ], [ 3.8077755119347874, 9.113872352498385, 5.3841031302265 ], [ 1.2997166369347877, 5.457620397501616, 1.9290063052265005 ], [ 3.4257454221036925, 6.18355341765261, 6.544229207330286 ], [ 0.9176865471036925, 8.387939332347392, 3.0891323823302863 ], [ 1.5903723278963073, 3.53077508234739, 0.3659644426697135 ], [ 1.96467436718369, 1.1872693949145452, 5.164665433750929 ], [ 0.8935422380240226, 8.028222896586495, 0.5125235949847315 ], [ 1.2083422380652125, 0.600456147501615, 1.5260905197734995 ], [ 4.098431202896308, 1.32638916765261, 3.8210612676697138 ], [ 3.0514433828163097, 8.527059105085455, 1.745528216249071 ], [ 3.4016011130240225, 6.543269853413505, 3.967620419984731 ] ]
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Cu", "Cu", "Cu", "Cu", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2018-07-02 15:55:06
[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]
[ [ -7.86571723, 0, -1.27425313 ], [ 0, -3.28558663, 0 ], [ -1.2742534, 0, -6.29934697 ] ]
-174.966564
[ 0.002, 0.002, 0.002, 0.002, 0.612, 0.607, 0.613, 0.608, -0.003, -0.003, -0.003, -0.003, 0.1, 0.065, 0.065, 0.093, 0.099, 0.093, 0.093, 0.08, 0.081, 0.08, 0.065, 0.099, 0.093, 0.081, 0.065, 0.1 ]
[ [ 0.00597688, -0.01607515, -0.02636121 ], [ -0.00597688, 0.01607515, 0.02636121 ], [ 0.00597688, 0.01607515, -0.02636121 ], [ -0.00597688, -0.01607515, 0.02636121 ], [ 0.01177581, 0.03698209, -0.00648294 ], [ 0.01177581, -0.03698209, -0.00648294 ], [ -0.01177581, -0.03698209, 0.00648294 ], [ -0.01177581, 0.03698209, 0.00648294 ], [ 0.05133089, -0.01361338, 0.05495436 ], [ -0.05133089, 0.01361338, -0.05495436 ], [ -0.05133089, -0.01361338, -0.05495436 ], [ 0.05133089, 0.01361338, 0.05495436 ], [ -0.01428016, -0.03197562, -0.06946788 ], [ -0.08145244, -0.00313279, 0.06749219 ], [ 0.08145244, 0.00313279, -0.06749219 ], [ 0.05325229, -0.00120356, 0.05191379 ], [ -0.01428016, 0.03197562, -0.06946788 ], [ -0.05325229, -0.00120356, -0.05191379 ], [ -0.05325229, 0.00120356, -0.05191379 ], [ -0.00293876, -0.02972635, -0.04481578 ], [ -0.00293876, 0.02972635, -0.04481578 ], [ 0.00293876, 0.02972635, 0.04481578 ], [ 0.08145244, -0.00313279, -0.06749219 ], [ 0.01428016, -0.03197562, 0.06946788 ], [ 0.05325229, 0.00120356, 0.05191379 ], [ 0.00293876, -0.02972635, 0.04481578 ], [ -0.08145244, 0.00313279, 0.06749219 ], [ 0.01428016, 0.03197562, 0.06946788 ] ]
3.788
1.542417
pbe
true
beb21cfca9e393e209ff7e4fa92a3ca4_14_Li4Cu4P4O16
[ "Cr", "Mn", "O", "V" ]
12
A8B2CD
CrMnO8V2
Mn1 V2 Cr1 O8
4
[ 1, 1, 1 ]
3
[ [ 5.64527296, 0.28026034, 0 ], [ -2.25262172, 5.18395101, 0 ], [ -1.69632562, -2.73210568, 4.64819649 ] ]
agm004889662
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"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"]}]
[ "Mn", "V", "V", "Cr", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.08333333333333333, 0.6666666666666666, 0.16666666666666666 ]
[ [ 1.3409368, -0.16510665, 0 ], [ -0.16510665, 1.177528, 0 ], [ 0, 0, 1.4434491 ] ]
-88.628352
[ 4.194, 0.225, 0.181, 2.962, -0.096, -0.084, -0.084, -0.096, -0.084, -0.096, -0.096, -0.084 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.002036, -0.00210893, -0.00061728 ], [ -0.0030837, -0.00165398, 0.00174736 ], [ -0.0001147, -0.00349738, -0.00174736 ], [ -0.00098715, -0.00276015, 0.00061728 ], [ 0.0030837, 0.00165398, 0.00174736 ], [ 0.002036, 0.00210893, -0.00061728 ], [ 0.00098715, 0.00276015, 0.00061728 ], [ 0.0001147, 0.00349738, -0.00174736 ] ]
7.000002
4.540489
pbe
true
cf97795b769a085023cdbbbc9b5890e6_119_Mn1V2Cr1O8
[ "Cr", "Mn", "Pa", "S" ]
10
A6B2CD
CrMn2PaS6
Pa1 Mn2 Cr1 S6
4
[ 1, 1, 1 ]
3
[ [ 6.36257628, 0.00707487, 0.01231957 ], [ 3.17496688, 5.51380563, 0.00650482 ], [ 3.16793585, 1.84007432, 5.84505057 ] ]
agm004959919
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "Pa", "Mn", "Mn", "Cr", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.1, 0.6 ]
[ [ 1.5039483, 0.00753919, 0.00371562 ], [ 0.00753923, 1.4947627, 0.00022789 ], [ 0.00371556, 0.00022788, 1.5235647 ] ]
-70.921318
[ 0.562, 4.194, 4.2, 2.975, -0.004, -0.004, -0.004, 0.003, 0.003, 0.003 ]
[ [ -0.00018676, -0.00033116, 0.00117029 ], [ -0.00098197, -0.00040628, -0.00056353 ], [ 0.00121377, 0.00081902, 0.00253879 ], [ 0.00094517, 0.00056961, -0.00566227 ], [ 0.00027428, -0.0005209, 0.0021302 ], [ -0.00094747, -0.00033028, 0.00204487 ], [ -0.00034345, 0.0008245, 0.00162342 ], [ -0.00008009, 0.00038639, -0.00072557 ], [ 0.00098161, -0.00016985, -0.00139186 ], [ -0.0008751, -0.00084104, -0.00116435 ] ]
13.052601
0.092402
pbe
true
0d6a4adb3421b11c7037015eabd1e5a1_146_Pa1Mn2Cr1S6
[ "Cr", "Mo", "O", "Pb" ]
12
A8B2CD
Cr2MoO8Pb
Cr2 Mo1 Pb1 O8
4
[ 1, 1, 1 ]
3
[ [ 4.68562089, -0.07777452, -0.00287473 ], [ -0.03936851, 4.68330738, -0.00519084 ], [ 0.0042131, 0.00730151, 6.43424138 ] ]
agm004879766
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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": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "Cr", "Cr", "Mo", "Pb", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.08333333333333333, 0.6666666666666666, 0.08333333333333333 ]
[ [ 1.1372932, -0.05964041, 0.00008938 ], [ -0.05965188, 1.2085534, -0.00002278 ], [ 0.0000894, -0.00002278, 1.1327833 ] ]
-83.329357
[ 2.943, 2.943, 0.167, 0.024, -0.03, -0.044, -0.03, -0.03, -0.044, -0.03, -0.022, -0.022 ]
[ [ 4.7e-7, 8.1e-7, 0.00071065 ], [ -4.7e-7, -8.1e-7, -0.00071065 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00269188, -0.00036166, -0.00149652 ], [ 0.00503386, 0.00280769, -0.00000631 ], [ -0.00269384, 0.00035826, -0.00149392 ], [ -0.00269188, 0.00036166, 0.00149652 ], [ -0.00503386, -0.00280769, 0.00000631 ], [ 0.00269384, -0.00035826, 0.00149392 ], [ 0.00381962, 0.00113733, -0.00000368 ], [ -0.00381962, -0.00113733, 0.00000368 ] ]
5.990625
0.721126
pbe
true
176653eecdf360e010aaccd18c2548fb_65_Cr2Mo1Pb1O8
[ "Cr", "Mo", "Pb", "Rh" ]
5
A2BCD
CrMo2PbRh
Cr1 Mo2 Rh1 Pb1
4
[ 1, 1, 1 ]
3
[ [ 4.73432259, 0, 0 ], [ 0, 4.96179421, 0 ], [ 0, 0, 4.73432259 ] ]
agm001563363
[ [ 0, 2.480897105, 0 ], [ 2.367161295, 2.480897105, 2.367161295 ], [ 0, 0, 2.367161295 ], [ 2.367161295, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Pb", "Cr", "Mo", "Mo", "Rh" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 8.129861, 0, 0 ], [ 0, 5.6017776, 0 ], [ 0, 0, 8.129861 ] ]
-32.536581
[ -0.007, 0.261, 0.547, 0.687, -0.037 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.58993
7.850376
pbe
true
62def2520de1d10bfa77d5da0f40e064_123_Cr1Mo2Rh1Pb1
[ "Cr", "Mo", "Pb", "Sb" ]
5
A2BCD
CrMoPb2Sb
Cr1 Sb1 Mo1 Pb2
4
[ 1, 1, 1 ]
3
[ [ 5.81288433, 0, 0 ], [ 0, 5.06884153, 0 ], [ 0, 0, 5.81288433 ] ]
agm001434699
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
[ "Pb", "Pb", "Sb", "Mo", "Cr" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 3.018466, 0, 0 ], [ 0, 2.792906, 0 ], [ 0, 0, 3.018466 ] ]
-24.294058
[ 0.02, 0.02, 0.003, -0.349, -4.182 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-5.212557
3.986747
pbe
true
abf2b4495186740c95f9a9b8479fbe4b_123_Cr1Sb1Mo1Pb2
[ "Cr", "N", "O", "S" ]
5
A2BCD
CrN2OS
Cr1 S1 N2 O1
4
[ 1, 1, 1 ]
3
[ [ 3.58955153, 0, 0 ], [ 0, 3.58955153, 0 ], [ 0, 0, 5.0246807 ] ]
agm001731242
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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": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Cr", "S", "O", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.0934185, 0, 0 ], [ 0, 1.0934185, 0 ], [ 0, 0, 1.6343883 ] ]
-26.706704
[ -1.91, 0.192, 0.134, 0.84, 0.84 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.767903
2.552633
pbe
true
4ee91e43958d71b467492c0dfad08a91_123_Cr1S1N2O1
[ "Cr", "N", "Pa", "Th" ]
10
A6B2CD
CrN6PaTh2
Th2 Pa1 Cr1 N6
4
[ 1, 1, 1 ]
3
[ [ 5.01314068, 0, 0 ], [ 0, 5.50059777, 0 ], [ 0, 0, 5.50059777 ] ]
agm004987123
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Th", "Th", "Pa", "Cr", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.1, 0.2 ]
[ [ 0.49278063, 0, 0 ], [ 0, 0.5065061, 0 ], [ 0, 0, 0.5065061 ] ]
-95.578519
[ 0.024, 0.024, 0.028, 1.015, -0.009, -0.009, -0.006, -0.085, -0.009, -0.009 ]
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1
-0.076219
pbe
true
60a11de83a27cca3cab26fb7ff01706e_99_Th2Pa1Cr1N6
[ "Cr", "Ni", "P", "Pa" ]
18
A12B3C2D
CrNi12P3Pa2
Pa2 Cr1 Ni12 P3
4
[ 1, 1, 1 ]
3
[ [ 6.04539885, -1.36771721, -0.97010864 ], [ 1.79624195, 5.93220132, -0.97010864 ], [ 1.79624195, 1.04556152, 5.91936858 ] ]
agm004502283
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Pa", "Pa", "Cr", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "P", "P", "P" ]
2023-11-16 06:57:59
[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]
[ [ -8.823448, -0.0658091, -0.04667776 ], [ -0.0658091, -8.748696, -0.02717032 ], [ -0.04667776, -0.02717032, -8.729662 ] ]
-116.662334
[ 0.095, 0.095, 3.578, 0.017, 0.057, 0.057, 0.017, 0.057, 0.017, 0.017, 0.057, 0.057, 0.017, 0.057, 0.017, 0.002, 0.002, 0.002 ]
[ [ -0.00287081, -0.00167105, -0.00118526 ], [ 0.00287081, 0.00167105, 0.00118526 ], [ 0, 0, 0 ], [ 0.00188611, 0.00109787, 0.00095244 ], [ -0.00184193, -0.00107216, 0.01408991 ], [ 0.01034511, -0.0079937, -0.00566985 ], [ 0.00202868, 0.0010169, 0.00072127 ], [ -0.00184193, 0.01294325, -0.00566985 ], [ 0.00188611, 0.00126184, 0.00072127 ], [ -0.00188611, -0.00109787, -0.00095244 ], [ 0.00184193, 0.00107216, -0.01408991 ], [ -0.01034511, 0.0079937, 0.00566985 ], [ -0.00202868, -0.0010169, -0.00072127 ], [ 0.00184193, -0.01294325, 0.00566985 ], [ -0.00188611, -0.00126184, -0.00072127 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.576585
10.135199
pbe
true
6240ee33c91478cf93c8610e3f8105c3_166_Pa2Cr1Ni12P3
[ "Cr", "O", "Rb", "W" ]
5
A2BCD
CrORbW2
Rb1 Cr1 W2 O1
4
[ 1, 1, 1 ]
3
[ [ 6.11677228, 0, 0 ], [ 0, 3.61652428, 0 ], [ 0, 0, 6.11677228 ] ]
agm001576981
[ [ 0, 1.80826214, 0 ], [ 0, 0, 0 ], [ 3.05838614, 1.80826214, 3.05838614 ], [ 0, 0, 3.05838614 ], [ 3.05838614, 0, 0 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "O", "Cr", "Rb", "W", "W" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.41816118, 0, 0 ], [ 0, 2.8721275, 0 ], [ 0, 0, 0.41816118 ] ]
-20.652469
[ -0.127, 1.431, 0.063, 3.513, 3.626 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
10.711517
2.84804
pbe
true
49004be9f0051da1ece27f3f3b58a014_123_Rb1Cr1W2O1
[ "Cr", "P", "S", "Se" ]
5
A2BCD
CrP2SSe
Cr1 P2 Se1 S1
4
[ 1, 1, 1 ]
3
[ [ 4.70186177, 0, 0 ], [ 0, 4.70186177, 0 ], [ 0, 0, 4.65040649 ] ]
agm001419273
[ [ 2.350930885, 2.350930885, 2.325203245 ], [ 0, 0, 2.325203245 ], [ 0, 0, 0 ], [ 0, 2.350930885, 0 ], [ 2.350930885, 0, 0 ] ]
[{"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": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Cr", "S", "Se", "P", "P" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.3183385, 0, 0 ], [ 0, 1.3183385, 0 ], [ 0, 0, 4.2075276 ] ]
-20.497476
[ -0.586, 0.029, 0.022, 0.081, 0.081 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.209756
5.946452
pbe
true
c1b51d9a4b9218e88c94b75fa589a66d_123_Cr1P2Se1S1
[ "Cr", "Pb", "W", "Zn" ]
5
A2BCD
CrPbW2Zn
Zn1 Cr1 Pb1 W2
4
[ 1, 1, 1 ]
3
[ [ 4.64329651, 0, 0 ], [ 0, 4.41208603, 0 ], [ 0, 0, 4.64329651 ] ]
agm001483404
[ [ 2.321648255, 2.206043015, 2.321648255 ], [ 0, 2.206043015, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.321648255 ], [ 2.321648255, 0, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pb", "Cr", "Zn", "W", "W" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 5.430627, 0, 0 ], [ 0, 5.1594744, 0 ], [ 0, 0, 5.430627 ] ]
-31.372255
[ 0, 0, 0, -0.001, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000007
7.357448
pbe
true
2f9bd156a6e8b77b48d0f3602efa9cee_123_Zn1Cr1Pb1W2
[ "Cr", "Ru", "S", "Te" ]
5
A2BCD
Cr2RuSTe
Cr2 Te1 Ru1 S1
4
[ 1, 1, 1 ]
3
[ [ 4.90072207, 0, 0 ], [ 0, 4.83550946, 0 ], [ 0, 0, 4.90072207 ] ]
agm001570234
[ [ 0, 0, 0 ], [ 2.450361035, 2.41775473, 2.450361035 ], [ 0, 2.41775473, 0 ], [ 0, 0, 2.450361035 ], [ 2.450361035, 0, 0 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"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": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Ru", "S", "Te", "Cr", "Cr" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 3.4672496, 0, 0 ], [ 0, 1.2196013, 0 ], [ 0, 0, 3.4672496 ] ]
-30.983858
[ -0.433, -0.218, -0.026, 3.352, 3.839 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
7.212472
5.604812
pbe
true
1e50765652657698c04891f5a0c3a53a_123_Cr2Te1Ru1S1
[ "Cr", "Ru", "Sb", "Te" ]
5
A2BCD
CrRuSbTe2
Cr1 Sb1 Te2 Ru1
4
[ 1, 1, 1 ]
3
[ [ 5.09249994, 0, 0 ], [ 0, 5.09249994, 0 ], [ 0, 0, 4.97678472 ] ]
agm001806313
[ [ 0, 0, 2.48839236 ], [ 0, 2.54624997, 0 ], [ 2.54624997, 0, 0 ], [ 0, 0, 0 ], [ 2.54624997, 2.54624997, 2.48839236 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"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": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Sb", "Te", "Te", "Cr", "Ru" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.6535691, 0, 0 ], [ 0, 1.6535691, 0 ], [ 0, 0, 1.3342266 ] ]
-24.088876
[ -0.158, -0.075, -0.075, 2.431, 1.458 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.753139
6.149032
pbe
true
7e4aae0339ab434f3449d9372487de06_123_Cr1Sb1Te2Ru1
[ "Cs", "Cu", "K", "Tl" ]
5
A2BCD
CsCuK2Tl
Cs1 K2 Tl1 Cu1
4
[ 1, 1, 1 ]
3
[ [ 6.70844678, 0, 0 ], [ 0, 6.70844678, 0 ], [ 0, 0, 5.19602626 ] ]
agm001622723
[ [ 3.35422339, 3.35422339, 2.59801313 ], [ 0, 0, 2.59801313 ], [ 0, 3.35422339, 0 ], [ 3.35422339, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Tl", "K", "K", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -0.905402, 0, 0 ], [ 0, -0.905402, 0 ], [ 0, 0, -0.46120897 ] ]
-8.817185
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000058
3.275224
pbe
true
2225bab7930b11dc5be23a4f13f17bad_123_Cs1K2Tl1Cu1
[ "Cs", "Cu", "H", "K" ]
12
A3BCD
CsCuH3K
Cs2 K2 Cu2 H6
4
[ 1, 1, 1 ]
3
[ [ 5.46354878, -1.78475153, -0.31701564 ], [ 0.98349693, 5.66290006, -0.31701564 ], [ 1.33282921, 0.80174857, 8.31711647 ] ]
agm005029483
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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": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "K", "K", "Cu", "Cu", "H", "H", "H", "H", "H", "H" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ -0.48250633, -0.00888873, -0.07730926 ], [ -0.00888873, -0.4730766, -0.04650452 ], [ -0.07730921, -0.04650449, -0.7736995 ] ]
-34.000068
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00244138, 0.00146859, -0.00067847 ], [ -0.00244138, -0.00146859, 0.00067847 ], [ 0.00001646, -0.00002736, 0 ], [ -0.00001646, 0.00002736, 0 ], [ 0.03354573, 0.02017906, -0.0111322 ], [ -0.03354573, -0.02017906, 0.0111322 ], [ 0.00161786, 0.00097321, -0.00298202 ], [ 0.00110056, 0.00238639, -0.00110924 ], [ 0.00262389, -0.00014599, -0.00110924 ], [ -0.00262389, 0.00014599, 0.00110924 ], [ -0.00110056, -0.00238639, 0.00110924 ], [ -0.00161786, -0.00097321, 0.00298202 ] ]
-0
0
pbe
true
bb39526af4203b7c094eb36fe4b699ec_12_Cs2K2Cu2H6
[ "Cs", "Cu", "Nb", "Ti" ]
5
A2BCD
CsCuNb2Ti
Cs1 Ti1 Nb2 Cu1
4
[ 1, 1, 1 ]
3
[ [ 5.08229547, 0, 0 ], [ 0, 4.77275316, 0 ], [ 0, 0, 5.08229547 ] ]
agm001601243
[ [ 0, 0, 0 ], [ 0, 0, 2.541147735 ], [ 2.541147735, 0, 0 ], [ 0, 2.38637658, 0 ], [ 2.541147735, 2.38637658, 2.541147735 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Nb", "Nb", "Cu", "Ti" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -1.2991805, 0, 0 ], [ 0, -3.241546, 0 ], [ 0, 0, -1.2991805 ] ]
-19.865539
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000016
8.448428
pbe
true
cdd270d93e092edc5401595ba991b1da_123_Cs1Ti1Nb2Cu1
[ "Cs", "Dy", "In", "Te" ]
15
A8B3C3D
Cs3Dy3InTe8
Cs3 Dy3 In1 Te8
4
[ 1, 1, 1 ]
3
[ [ 8.83635489, 0, 0 ], [ -4.41817745, 7.67069041, -0.03831355 ], [ 0, -5.07760445, 9.26236955 ] ]
agm004699607
[ [ 0, 0, 0 ], [ -2.209088725, 3.835345205, -0.019156775 ], [ 2.2090887200000004, 3.835345205, -0.019156775 ], [ 4.418177445, -2.538802225, 4.631184775 ], [ 2.2090887200000004, 1.29654298, 4.6120280000000005 ], [ -2.209088725, 1.29654298, 4.6120280000000005 ], [ 0, -2.538802225, 4.631184775 ], [ -4.68779560041678e-8, 2.5678291249938647, 2.840512475072982 ], [ 4.4181774868779575, 0.02525683500613528, 6.383543524927018 ], [ 4.418172979926226, 2.5773648877751243, 2.874393761581006 ], [ 0.000004460073774657165, 0.015721072224874167, 6.349662238418995 ], [ 6.6319909662533885, -1.269469239704855, 2.891456160429527 ], [ -2.2138135262533876, 3.862555199704854, 6.332599839570475 ], [ 2.2043639233340224, -1.269469239704855, 2.891456160429527 ], [ 2.21381351666598, 3.862555199704854, 6.332599839570475 ] ]
[{"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": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Dy", "Dy", "Dy", "In", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.06666666666666667, 0.5333333333333333 ]
[ [ 0.37350717, 0, 0 ], [ 0, 0.39519635, 0.00531251 ], [ 0, 0.00531255, 0.4053761 ] ]
-60.781746
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00069813, -0.0006682 ], [ 0, -0.00069813, 0.0006682 ], [ 0, -0.00146864, -0.00142697 ], [ 0, 0.00146864, 0.00142697 ], [ 0.00316824, -0.00146741, 0.00108666 ], [ -0.00316824, 0.00146741, -0.00108666 ], [ -0.00316824, -0.00146741, 0.00108666 ], [ 0.00316824, 0.00146741, -0.00108666 ] ]
-0.000011
6.771271
pbe
true
6772628fb60190013a1908364f0f921b_12_Cs3Dy3In1Te8
[ "Cs", "Er", "Se", "Sm" ]
12
A6B3C2D
Cs3Er2Se6Sm
Cs3 Sm1 Er2 Se6
4
[ 1, 1, 1 ]
3
[ [ 7.40313532, -0.00108837, 0.000176 ], [ -3.7007085, 6.41179931, 0.000176 ], [ -1.23469328, -2.1378577, 8.37555349 ] ]
agm004638956
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Sm", "Er", "Er", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.16666666666666666, 0.5, 0.08333333333333333 ]
[ [ 0.5214729, 0.00707684, -0.00313337 ], [ 0.00707684, 0.52963924, -0.00542539 ], [ -0.00313335, -0.00542536, 0.64789236 ] ]
-57.958754
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00356997, -0.00206179, 0 ], [ -0.00356997, 0.00206179, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00043164, 0.00024929, 0 ], [ 0.00043164, -0.00024929, 0 ], [ 0.00023473, 0.0000321, 0.00281353 ], [ -0.00021028, -0.00036409, -0.00069234 ], [ -0.00023473, -0.0000321, -0.00281353 ], [ -0.00008951, 0.00021936, 0.00281353 ], [ 0.00021028, 0.00036409, 0.00069234 ], [ 0.00008951, -0.00021936, -0.00281353 ] ]
0
0
pbe
true
07cf6d6d60f9b99dc42ac0358e70035a_12_Cs3Sm1Er2Se6
[ "Cs", "Er", "Np", "Te" ]
16
A8B4C3D
Cs4Er3NpTe8
Cs4 Er3 Np1 Te8
4
[ 1, 1, 1 ]
3
[ [ 9.12558353, 0, 0 ], [ 0, 10.30500884, 0.83170107 ], [ -4.56279177, -4.55951551, 6.45321259 ] ]
agm004733555
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[{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "Er", "Er", "Er", "Np", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.25, 0.1875, 0.0625, 0.5 ]
[ [ 0.5299644, 0, 0 ], [ 0, 0.52620864, -0.03988301 ], [ 0, -0.03988295, 0.52193016 ] ]
-75.029062
[ -0.004, 0, 0, 0, 0.014, 0.014, 0.014, 3.964, -0.023, -0.023, 0, -0.023, -0.023, 0, -0.023, -0.023 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00054374, 0.0004936, -0.00228382 ], [ 0, -0.00198927, -0.0014058 ], [ 0, -0.00096618, -0.00176066 ], [ -0.00054374, 0.0004936, -0.00228382 ], [ 0.00054374, -0.0004936, 0.00228382 ], [ 0, 0.00096618, 0.00176066 ], [ 0, 0.00198927, 0.0014058 ], [ -0.00054374, -0.0004936, 0.00228382 ] ]
4.000121
5.573737
pbe
true
d26ee7906604ef6bfb3cca14a701d104_166_Cs4Er3Np1Te8
[ "Cs", "Fe", "P", "S" ]
12
A8B2CD
CsFeP2S8
Cs1 Fe1 P2 S8
4
[ 1, 1, 1 ]
3
[ [ 5.81405362, 9.3e-7, 0 ], [ -2.90702762, 5.03511766, 0 ], [ 0, 0, 10.35861701 ] ]
agm004883324
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Fe", "P", "P", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.08333333333333333, 0.16666666666666666, 0.6666666666666666 ]
[ [ 0.28009635, -0.00000161, 0 ], [ 0.00000161, 0.28009635, 0 ], [ 0, 0, 0.35237673 ] ]
-56.613414
[ 0.001, 1.799, -0.012, -0.012, 0.049, 0.108, 0.108, 0.049, 0.108, 0.108, 0.108, 0.108 ]
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2.99504
5.985865
pbe
true
703d783305292f153d88ea69b61df903_147_Cs1Fe1P2S8
[ "Cs", "Ga", "K", "Mg" ]
5
A2BCD
CsGaKMg2
Cs1 K1 Mg2 Ga1
4
[ 1, 1, 1 ]
3
[ [ 5.53440528, 0, 0 ], [ 0, 5.53440528, 0 ], [ 0, 0, 6.57908514 ] ]
agm001654201
[ [ 2.76720264, 2.76720264, 3.28954257 ], [ 0, 0, 3.28954257 ], [ 0, 2.76720264, 0 ], [ 2.76720264, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "K", "Mg", "Mg", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.0444161, 0, 0 ], [ 0, 1.0444161, 0 ], [ 0, 0, 0.7792042 ] ]
-7.503171
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000002
2.36078
pbe
true
d5494b04b123cbcbb2500119e22e11ed_123_Cs1K1Mg2Ga1
[ "Cs", "Ga", "Re", "Y" ]
5
A2BCD
CsGaReY2
Cs1 Y2 Ga1 Re1
4
[ 1, 1, 1 ]
3
[ [ 5.54813933, 0, 0 ], [ 0, 5.54813933, 0 ], [ 0, 0, 5.91831806 ] ]
agm001422149
[ [ 0, 0, 2.95915903 ], [ 2.774069665, 2.774069665, 2.95915903 ], [ 0, 2.774069665, 0 ], [ 2.774069665, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Re", "Y", "Y", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.7904446, 0, 0 ], [ 0, 0.7904446, 0 ], [ 0, 0, 0.9639417 ] ]
-21.814314
[ -0.011, 2.856, -0.243, -0.243, -0.002 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.205079
9.853924
pbe
true
2a3e60a2e869c6a3cfbaa0f93fa42e06_123_Cs1Y2Ga1Re1
[ "Cs", "Ge", "Na", "Pd" ]
5
A2BCD
CsGeNa2Pd
Cs1 Na2 Ge1 Pd1
4
[ 1, 1, 1 ]
3
[ [ 5.74656752, 0, 0 ], [ 0, 5.74656752, 0 ], [ 0, 0, 4.85848488 ] ]
agm001644095
[ [ 2.87328376, 2.87328376, 2.42924244 ], [ 0, 2.87328376, 0 ], [ 2.87328376, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.42924244 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Na", "Na", "Ge", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.6178435, 0, 0 ], [ 0, 1.6178435, 0 ], [ 0, 0, 1.9981196 ] ]
-13.607545
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000046
3.753998
pbe
true
ecea54b0624072af7cf1794ae16c1787_123_Cs1Na2Ge1Pd1
[ "Cs", "H", "Sb", "Tc" ]
10
A2BCD
CsH2SbTc
Cs2 Tc2 Sb2 H4
4
[ 1, 1, 1 ]
3
[ [ 3.30567, 0, 0 ], [ 0, 3.68136, 0 ], [ -3.18426341, 0, 15.33663188 ] ]
agm002072334
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[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Tc", "Tc", "Sb", "Sb", "H", "H", "H", "H" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 5.424018, 0, -0.03778585 ], [ 0, 5.4138985, 0 ], [ -0.03778564, 0, 4.7075253 ] ]
-42.086788
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00125152, 0, 0.0006601 ], [ 0.00125152, 0, 0.0006601 ], [ 0.00024037, 0, 0.00558207 ], [ 0.00024037, 0, 0.00558207 ], [ -0.00023628, 0, 0.00447655 ], [ -0.00023628, 0, 0.00447655 ], [ -0.00124213, 0, 0.00044486 ], [ -0.00124213, 0, 0.00044486 ], [ -0.00001348, 0, -0.01116358 ], [ -0.00001348, 0, -0.01116358 ] ]
0.000015
3.485977
pbe
true
efa45dbcf22321bf459d07c9059a5fc9_8_Cs2Tc2Sb2H4
[ "Cs", "I", "K", "O" ]
12
A6B3C2D
Cs2IK3O6
Cs2 K3 I1 O6
4
[ 1, 1, 1 ]
3
[ [ 7.12716388, -0.05112865, -0.05377116 ], [ -3.60613312, 6.1477543, -0.05377116 ], [ -1.2175293, -2.10813847, 5.92405024 ] ]
agm004625995
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[ "Cs", "Cs", "K", "K", "K", "I", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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51c893454de2a1e1422236f66509522f_12_Cs2K3I1O6
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5
A2BCD
CsInNbPd2
Cs1 Nb1 In1 Pd2
4
[ 1, 1, 1 ]
3
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agm001574029
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[ "Cs", "Nb", "Pd", "Pd", "In" ]
2023-11-16 06:57:59
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1.227456
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pbe
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0eedc1de8febfb7449c18156ac6d8385_123_Cs1Nb1In1Pd2
[ "Cs", "K", "Li", "P" ]
5
A2BCD
CsK2LiP
Cs1 K2 Li1 P1
4
[ 1, 1, 1 ]
3
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agm001634266
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[ "Cs", "P", "K", "K", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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0.000002
1.796017
pbe
true
c91092af311c9ee08833ef89c723892c_123_Cs1K2Li1P1
[ "Cs", "K", "Ti", "Zn" ]
5
A2BCD
CsK2TiZn
Cs1 K2 Ti1 Zn1
4
[ 1, 1, 1 ]
3
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agm001590913
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[ "Cs", "Zn", "K", "K", "Ti" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-7.217367
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4.820108
3.251617
pbe
true
f2189f7d4ae8265f5d0d4687b3da3ef7_123_Cs1K2Ti1Zn1
[ "Cs", "Li", "Re", "S" ]
5
A2BCD
CsLi2ReS
Cs1 Li2 Re1 S1
4
[ 1, 1, 1 ]
3
[ [ 5.17275304, 0, 0 ], [ 0, 4.43379344, 0 ], [ 0, 0, 5.17275304 ] ]
agm001591286
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Re", "S", "Li", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-19.600399
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0.398101
3.233645
pbe
true
f7ff176848c6663709e8a870da145745_123_Cs1Li2Re1S1
[ "Cs", "Nb", "O", "Pu" ]
10
A6B2CD
Cs2NbO6Pu
Cs2 Pu1 Nb1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.92676636, -0.00010204, 0.00003147 ], [ -0.00010451, 5.92713932, 0.00010895 ], [ -2.96340034, -2.96323562, 4.93400256 ] ]
agm004923789
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[ "Cs", "Cs", "Pu", "Nb", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.6, 0.1 ]
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-79.184755
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3
5.703247
pbe
true
84f09ed6e7aaeeb09246f529b465f4a1_107_Cs2Pu1Nb1O6
[ "Cs", "Ni", "P", "Pb" ]
5
A2BCD
CsNiP2Pb
Cs1 Ni1 P2 Pb1
4
[ 1, 1, 1 ]
3
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agm001453128
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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Pb", "Cs", "P", "P", "Ni" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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0
2.671119
pbe
true
a67f72420ce2b2fd7d9298268639c866_123_Cs1Ni1P2Pb1
[ "Cs", "Ni", "Pb", "Tl" ]
5
A2BCD
CsNiPbTl2
Cs1 Tl2 Ni1 Pb1
4
[ 1, 1, 1 ]
3
[ [ 5.42041168, 0, 0 ], [ 0, 5.42041168, 0 ], [ 0, 0, 5.3579284 ] ]
agm001606745
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[ "Pb", "Cs", "Tl", "Tl", "Ni" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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-0.000029
5.705292
pbe
true
bdfb835307fb13bb34c2582fb9d7fe6a_123_Cs1Tl2Ni1Pb1
[ "Cs", "O", "Pu", "Tc" ]
18
A12B3C2D
Cs2O12PuTc3
Cs2 Pu1 Tc3 O12
4
[ 1, 1, 1 ]
3
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agm004494357
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[ "Cs", "Cs", "Pu", "Tc", "Tc", "Tc", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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3.958855
10.556691
pbe
true
520a726eba023c75c513411305e0dd31_166_Cs2Pu1Tc3O12
[ "Cs", "Pm", "S", "U" ]
11
A6B2C2D
Cs2Pm2S6U
Cs2 Pm2 U1 S6
4
[ 1, 1, 1 ]
3
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agm004587139
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Pm", "Pm", "U", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.18181818181818182, 0.5454545454545454, 0.09090909090909091 ]
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2.00002
7.004361
pbe
true
b3c20d067c6826b9cab0b0edde2ac6a4_12_Cs2Pm2U1S6
[ "Cs", "Pm", "Sm", "Te" ]
16
A8B4C3D
Cs4PmSm3Te8
Cs4 Pm1 Sm3 Te8
4
[ 1, 1, 1 ]
3
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agm004733449
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2023-11-16 06:57:59
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0.000001
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pbe
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45bed95e81ef943cfb812fbdc1c00c97_166_Cs4Pm1Sm3Te8
[ "Cs", "S", "Ti", "U" ]
14
A4BCD
CsS4TiU
Cs2 U2 Ti2 S8
4
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3
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agm005049053
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[ "Cs", "Cs", "U", "U", "Ti", "Ti", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
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6.000853
13.443151
pbe
true
801fcc4b0b454265e169998cea4f8943_11_Cs2U2Ti2S8
[ "Cs", "Se", "U", "Y" ]
16
A8B4C3D
Cs4Se8UY3
Cs4 Y3 U1 Se8
4
[ 1, 1, 1 ]
3
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agm004717900
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[ "Cs", "Cs", "Cs", "Cs", "Y", "Y", "Y", "U", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.0625, 0.1875 ]
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-87.413583
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2.984278
9.91609
pbe
true
fb68bfe0d5a0d23a764b5e3e707299dd_166_Cs4Y3U1Se8
[ "Cu", "Dy", "Mn", "Ni" ]
20
A5B2C2D
Cu2Dy2MnNi5
Dy4 Mn2 Cu4 Ni10
4
[ 1, 1, 1 ]
3
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agm005138875
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[ "Dy", "Dy", "Dy", "Dy", "Mn", "Mn", "Cu", "Cu", "Cu", "Cu", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
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8.679883
11.583195
pbe
true
f77a8e4d5f0811b412a8dce43f95b3da_127_Dy4Mn2Cu4Ni10
[ "Cu", "Dy", "Mg", "Zn" ]
18
A12B3C2D
Cu3Dy2MgZn12
Dy2 Mg1 Zn12 Cu3
4
[ 1, 1, 1 ]
3
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agm004500547
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[ "Dy", "Dy", "Mg", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
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-34.079966
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0
7.518497
pbe
true
be24037548d86aa6ac1729a4521bf338_166_Dy2Mg1Zn12Cu3
[ "Cu", "Dy", "Si", "Zn" ]
5
A2BCD
CuDySi2Zn
Dy1 Zn1 Cu1 Si2
4
[ 1, 1, 1 ]
3
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agm005018515
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[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Dy", "Zn", "Cu", "Si", "Si" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-23.125255
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0
1.744611
pbe
true
15d448e72f4ca8b97bff1f0fc413924f_119_Dy1Zn1Cu1Si2
[ "Cu", "Er", "La", "Sn" ]
4
ABCD
CuErLaSn
La1 Er1 Cu1 Sn1
4
[ 1, 1, 1 ]
3
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agm001332741
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "La", "Sn", "Cu", "Er" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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-19.251306
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0.000934
4.002385
pbe
true
9a5c7d019ccdfb27f3dda6b4a89e7b53_216_La1Er1Cu1Sn1
[ "Cu", "Eu", "La", "Ru" ]
4
ABCD
CuEuLaRu
La1 Eu1 Cu1 Ru1
4
[ 1, 1, 1 ]
3
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agm001309458
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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": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Ru", "Cu", "La" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -1.7218453, 0, 0 ], [ 0, -1.7218453, 0 ], [ 0, 0, -1.7218453 ] ]
-28.768743
[ 6.738, -0.279, -0.006, 0.038 ]
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6.7547
10.991936
pbe
true
60eedf922eb5ed183677da710a7e7a0b_216_La1Eu1Cu1Ru1
[ "Cu", "F", "K", "Sc" ]
20
A6B2CD
CuF6K2Sc
K4 Sc2 Cu2 F12
4
[ 1, 1, 1 ]
3
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agm004927375
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[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"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", "K", "K", "K", "Sc", "Sc", "Cu", "Cu", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
[ [ 1.9894731, 0, 0 ], [ 0, 2.417829, 0 ], [ 0, 0, 1.4568108 ] ]
-105.867023
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0.121865
-0.000037
pbe
true
97cf34545ecc105b5723e6af2c2e27f3_139_K4Sc2Cu2F12
[ "Cu", "Fe", "H", "Nb" ]
5
A2BCD
CuFe2HNb
Nb1 Fe2 Cu1 H1
4
[ 1, 1, 1 ]
3
[ [ 3.73763274, 0, 0 ], [ 0, 3.73763274, 0 ], [ 0, 0, 3.87109563 ] ]
agm001606860
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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}]
[ "H", "Nb", "Fe", "Fe", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.886588, 0, 0 ], [ 0, 0.886588, 0 ], [ 0, 0, 0.68049175 ] ]
-34.039422
[ -0.002, -0.508, 1.35, 1.35, -0.006 ]
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2.071049
3.489059
pbe
true
be6848ff4a1885f926594fedfb14adf8_123_Nb1Fe2Cu1H1
[ "Cu", "Fe", "In", "Ti" ]
4
ABCD
CuFeInTi
Ti1 In1 Fe1 Cu1
4
[ 1, 1, 1 ]
3
[ [ 4.40091213, 0, 0 ], [ 2.20045607, 3.81130171, 0 ], [ 2.20045607, 1.2704339, 3.59332971 ] ]
agm001292188
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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": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Ti", "Fe", "Cu", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -1.6908851, 0, 0 ], [ 0, -1.6908851, 0 ], [ 0, 0, -1.6908851 ] ]
-23.311881
[ -0.47, 1.807, 0.046, 0.002 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.349724
2.762157
pbe
true
fe3e1886085930414d16787d2aac3bc9_216_Ti1In1Fe1Cu1
[ "Cu", "Ga", "In", "Pb" ]
5
A2BCD
CuGa2InPb
In1 Ga2 Cu1 Pb1
4
[ 1, 1, 1 ]
3
[ [ 4.80021194, 0, 0 ], [ 0, 4.80021194, 0 ], [ 0, 0, 5.19447283 ] ]
agm001658279
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[{"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": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Pb", "Cu", "Ga", "Ga", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ -1.3804883, 0, 0 ], [ 0, -1.3804883, 0 ], [ 0, 0, -0.8513204 ] ]
-15.896474
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.166152
pbe
true
ea70c43a8eb4c3ab52ce6846c2103fde_123_In1Ga2Cu1Pb1
[ "Cu", "Ga", "Ni", "Th" ]
10
A4B3C2D
Cu3Ga4NiTh2
Th2 Ga4 Cu3 Ni1
4
[ 1, 1, 1 ]
3
[ [ 4.24824192, 0, 0 ], [ 0, 4.24824192, 0 ], [ 0, 0, 9.8763446 ] ]
agm004528355
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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Th", "Th", "Ga", "Ga", "Ga", "Ga", "Cu", "Cu", "Cu", "Ni" ]
2023-11-16 06:57:59
[ 0.3, 0.4, 0.1, 0.2 ]
[ [ -2.519262, 0, 0 ], [ 0, -2.519262, 0 ], [ 0, 0, -2.5082142 ] ]
-49.64541
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00185019 ], [ 0, 0, -0.00185019 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.0015811 ], [ 0, 0, 0.0015811 ], [ 0, 0, 0 ], [ 0, 0, -0.02285342 ], [ 0, 0, 0.02285342 ], [ 0, 0, 0 ] ]
-0.000002
6.283054
pbe
true
68862aff0022a9f9ca59ee1d71991475_115_Th2Ga4Cu3Ni1
[ "Cu", "Ga", "Pd", "Pr" ]
9
A5B2CD
Cu2Ga5PdPr
Pr1 Ga5 Cu2 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.26781966, 0, 0 ], [ 0, 4.26781966, 0 ], [ 0, 0, 9.92607191 ] ]
agm005170831
[ [ 0, 0, 4.963035955 ], [ 0, 2.13390983, 1.5127161869795955 ], [ 2.13390983, 0, 1.5127161869795955 ], [ 0, 2.13390983, 8.413355723020404 ], [ 2.13390983, 0, 8.413355723020404 ], [ 2.13390983, 2.13390983, 4.963035955 ], [ 2.13390983, 2.13390983, 2.6950125973940775 ], [ 2.13390983, 2.13390983, 7.231059312605922 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Pr", "Ga", "Ga", "Ga", "Ga", "Ga", "Cu", "Cu", "Pd" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.5555555555555556, 0.1111111111111111, 0.1111111111111111 ]
[ [ -0.94910187, 0, 0 ], [ 0, -0.94910187, 0 ], [ 0, 0, -1.1735544 ] ]
-35.033186
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00378693 ], [ 0, 0, 0.00378693 ], [ 0, 0, -0.00378693 ], [ 0, 0, -0.00378693 ], [ 0, 0, 0 ], [ 0, 0, -0.02464661 ], [ 0, 0, 0.02464661 ], [ 0, 0, 0 ] ]
-0
4.029204
pbe
true
035c8a6aec55976e38637581fa1332d2_123_Pr1Ga5Cu2Pd1
[ "Cu", "Ga", "Re", "Ti" ]
5
A2BCD
CuGaReTi2
Ti2 Ga1 Re1 Cu1
4
[ 1, 1, 1 ]
3
[ [ 4.53399984, 0, 0 ], [ 0, 4.20299595, 0 ], [ 0, 0, 4.53399984 ] ]
agm001464699
[ [ 2.26699992, 2.101497975, 2.26699992 ], [ 0, 0, 0 ], [ 0, 2.101497975, 0 ], [ 0, 0, 2.26699992 ], [ 2.26699992, 0, 0 ] ]
[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Re", "Cu", "Ga", "Ti", "Ti" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -2.0825486, 0, 0 ], [ 0, -0.7715641, 0 ], [ 0, 0, -2.0825486 ] ]
-31.29499
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000003
5.178096
pbe
true
f48dbd8fa4a7ae71bc4bca3c6378903a_123_Ti2Ga1Re1Cu1
[ "Cu", "Ga", "Rh", "Y" ]
8
A4B2CD
Cu2Ga4RhY
Y1 Ga4 Cu2 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.16711774, 0, 0 ], [ 2.08355887, 3.60882982, 0 ], [ 2.08355887, 1.20294327, 8.8757219 ] ]
agm004792278
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[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Ga", "Ga", "Ga", "Ga", "Cu", "Cu", "Rh" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.125, 0.125 ]
[ [ -1.2388006, 0, 0 ], [ 0, -1.2388006, 0 ], [ 0, 0, -1.5996931 ] ]
-37.345286
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.0003527 ], [ 0, 0, -0.00109688 ], [ 0, 0, 0.00109688 ], [ 0, 0, 0.0003527 ], [ 0, 0, -0.00233333 ], [ 0, 0, 0.00233333 ], [ 0, 0, 0 ] ]
0
2.916744
pbe
true
0d2b7c4871d1744e8ad55841c14e949c_166_Y1Ga4Cu2Rh1
[ "Cu", "Ga", "S", "Zr" ]
12
A3BCD
CuGaS3Zr
Zr2 Ga2 Cu2 S6
4
[ 1, 1, 1 ]
3
[ [ 3.70069149, -0.00098251, 0 ], [ -1.85220715, 6.65760473, 0 ], [ 0, 0, 9.76038774 ] ]
agm002182254
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "S", "S", "S", "S", "S", "S", "Cu", "Cu", "Ga", "Ga", "Zr", "Zr" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ -0.9907654, 0.03904633, 0 ], [ 0.03904618, -0.7769761, 0 ], [ 0, 0, -0.9029627 ] ]
-66.87522
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00032827, -0.00082791, 0.00057238 ], [ -0.00032827, 0.00082791, -0.00057238 ], [ -0.00032827, 0.00082791, 0.00057238 ], [ -0.00093798, 0.00359159, 0 ], [ 0.00093798, -0.00359159, 0 ], [ 0.00032827, -0.00082791, -0.00057238 ], [ 0.01812858, 0.00916584, 0 ], [ -0.01812858, -0.00916584, 0 ], [ 0.00133626, 0.00069158, 0 ], [ -0.00133626, -0.00069158, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0
pbe
true
12082fdd8af16c6f39d48bfabab952b3_11_Zr2Ga2Cu2S6
[ "Cu", "Ga", "Tb", "Th" ]
7
A2B2C2D
Cu2Ga2Tb2Th
Tb2 Th1 Ga2 Cu2
4
[ 1, 1, 1 ]
3
[ [ 4.40696049, 0, 0 ], [ 2.20348025, 3.81653974, 0 ], [ 2.20348025, 1.27217991, 9.24505831 ] ]
agm004550403
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Tb", "Tb", "Th", "Ga", "Ga", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.2857142857142857, 0.2857142857142857, 0.14285714285714285 ]
[ [ -1.5856954, 0, 0 ], [ 0, -1.5856954, 0 ], [ 0, 0, -1.3343576 ] ]
-33.466305
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00198267 ], [ 0, 0, 0.00198267 ], [ 0, 0, 0 ], [ 0, 0, -0.00178478 ], [ 0, 0, 0.00178478 ], [ 0, 0, 0.01125367 ], [ 0, 0, -0.01125367 ] ]
0.000038
5.974053
pbe
true
f2d034766bbf9ac22e0fc543a49713df_166_Tb2Th1Ga2Cu2
[ "Cu", "Ge", "Li", "Sr" ]
18
A12B3C2D
Cu12GeLi3Sr2
Sr2 Li3 Cu12 Ge1
4
[ 1, 1, 1 ]
3
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agm004492080
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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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