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[ "Au", "Co", "Hf", "P" ]
5
A2BCD
AuCo2HfP
Hf1 Co2 P1 Au1
4
[ 1, 1, 1 ]
3
[ [ 4.16168176, 0, 0 ], [ 0, 4.70156196, 0 ], [ 0, 0, 4.16168176 ] ]
agm001598015
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Hf", "Au", "P", "Co", "Co" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.4854372, 0, 0 ], [ 0, 4.7535233, 0 ], [ 0, 0, 2.4854372 ] ]
-32.316533
[ -0.07, 0.002, 0.004, 0.616, 0.806 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.276611
3.687827
pbe
true
7286840bfc19e2d46351b50a1b759c18_123_Hf1Co2P1Au1
[ "Au", "Cr", "Ge", "Li" ]
4
ABCD
AuCrGeLi
Li1 Cr1 Ge1 Au1
4
[ 1, 1, 1 ]
3
[ [ 4.42640024, 0, 0 ], [ 2.21320012, 3.83337505, 0 ], [ 2.21320012, 1.27779168, 3.61414066 ] ]
agm001907801
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Cr", "Ge", "Au", "Li" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.4841585, 0, 0 ], [ 0, 4.4841585, 0 ], [ 0, 0, 4.4841585 ] ]
-19.92134
[ 3.021, -0.128, 0.031, -0.019 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.061877
2.345603
pbe
true
18b6d4f3e1c1474d6b6484a503745cec_216_Li1Cr1Ge1Au1
[ "Au", "Cr", "Mn", "Nb" ]
5
A2BCD
AuCr2MnNb
Mn1 Nb1 Cr2 Au1
4
[ 1, 1, 1 ]
3
[ [ 4.1346042, 0, 0 ], [ 0, 4.7763094, 0 ], [ 0, 0, 4.1346042 ] ]
agm001495194
[ [ 0, 0, 2.0673021 ], [ 2.0673021, 0, 0 ], [ 2.0673021, 2.3881547, 2.0673021 ], [ 0, 0, 0 ], [ 0, 2.3881547, 0 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Cr", "Cr", "Nb", "Mn", "Au" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 5.831379, 0, 0 ], [ 0, 2.0349064, 0 ], [ 0, 0, 5.831379 ] ]
-36.514173
[ -0.005, 0.006, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000198
6.641344
pbe
true
9eae8e1e53455b321546a53b8c5d4143_123_Mn1Nb1Cr2Au1
[ "Au", "Cs", "F", "Se" ]
20
A6B2CD
Au2Cs6FSe
Cs12 Au4 Se2 F2
4
[ 1, 1, 1 ]
3
[ [ 8.56718028, 0, -0.15845053 ], [ 0, 9.14566269, 0 ], [ -0.15104101, 0, 12.50294151 ] ]
agm004969848
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[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Au", "Au", "Au", "Au", "Se", "Se", "F", "F" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.22632328, 0, -0.05487792 ], [ 0, 0.23416865, 0 ], [ -0.05487792, 0, 0.229566 ] ]
-52.657706
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[ [ 0.00268956, 0.00084913, 0.00303673 ], [ 0.00268956, -0.00084913, 0.00303673 ], [ -0.00268956, -0.00084913, -0.00303673 ], [ -0.00268956, 0.00084913, -0.00303673 ], [ -0.00190869, 0.0016488, 0.00173391 ], [ -0.00190869, -0.0016488, 0.00173391 ], [ 0.00190869, -0.0016488, -0.00173391 ], [ 0.00190869, 0.0016488, -0.00173391 ], [ -0.00278002, -0.00080669, 0.00285961 ], [ -0.00278002, 0.00080669, 0.00285961 ], [ 0.00278002, 0.00080669, -0.00285961 ], [ 0.00278002, -0.00080669, -0.00285961 ], [ -0.00074613, 0.00258998, -0.00332113 ], [ -0.00074613, -0.00258998, -0.00332113 ], [ 0.00074613, -0.00258998, 0.00332113 ], [ 0.00074613, 0.00258998, 0.00332113 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000151
10.102027
pbe
true
5af8bfb1c70c9e80bbd5f9de532df84e_14_Cs12Au4Se2F2
[ "Au", "Cs", "Li", "S" ]
5
A2BCD
AuCs2LiS
Cs2 Li1 Au1 S1
4
[ 1, 1, 1 ]
3
[ [ 6.61825617, 0, 0 ], [ 0, 6.61825617, 0 ], [ 0, 0, 4.28807887 ] ]
agm001667584
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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": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "S", "Au", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.57649225, 0, 0 ], [ 0, 0.57649225, 0 ], [ 0, 0, 0.4353836 ] ]
-14.407489
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0
pbe
true
2e6479a26c280b7bae465024fa59f52b_123_Cs2Li1Au1S1
[ "Au", "Cu", "F", "Rb" ]
9
A6BCD
AuCuF6Rb
Rb1 Cu1 Au1 F6
4
[ 1, 1, 1 ]
3
[ [ 6.46660666, -0.01708856, 0.22957581 ], [ 3.2173821, 4.8007585, 0.12046407 ], [ 0.19277182, 0.0039286, 5.6449595 ] ]
agm005071084
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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": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Rb", "Cu", "Au", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]
[ [ 3.6606493, 0.00199135, 1.7029028 ], [ 0.00199152, 1.5199851, -0.04464154 ], [ 1.7029029, -0.04464191, 5.442211 ] ]
-34.021444
[ 0.002, 0.692, 0.024, 0.12, 0.03, 0.119, 0.007, 0.007, 0.03 ]
[ [ 0.00086665, -0.00104538, -0.00038359 ], [ -0.00344125, 0.00863267, -0.00108818 ], [ -0.00071793, -0.00068211, 0.00162821 ], [ -0.00352067, -0.0038833, -0.00183978 ], [ 0.00127489, -0.00240963, 0.00419204 ], [ 0.00233264, -0.0021136, 0.00181555 ], [ 0.00010925, 0.00135996, -0.00127956 ], [ 0.0005061, 0.00257359, 0.00184081 ], [ 0.00259032, -0.00243219, -0.0048855 ] ]
1.060449
-0.192617
pbe
true
153c42ad7a1b2d6da0edc9670132671a_1_Rb1Cu1Au1F6
[ "Au", "Cu", "Sm", "Y" ]
4
ABCD
AuCuSmY
Sm1 Y1 Cu1 Au1
4
[ 1, 1, 1 ]
3
[ [ 3.81686257, 0, 0 ], [ 0, 4.58965865, 0 ], [ -1.90843129, 0, 5.43842744 ] ]
agm005182530
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[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"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", "Cu", "Au" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -1.6543092, 0, 0 ], [ 0, -1.600996, 0 ], [ 0, 0, -1.688928 ] ]
-20.704362
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00045103 ], [ 0, 0, 0.00808879 ], [ 0, 0, -0.01002937 ], [ 0, 0, 0.00148954 ] ]
-0.000003
2.812475
pbe
true
85e44a4719a4c5f3af8b66dadbca47ee_38_Sm1Y1Cu1Au1
[ "Au", "Dy", "Ir", "Li" ]
4
ABCD
AuDyIrLi
Li1 Dy1 Ir1 Au1
4
[ 1, 1, 1 ]
3
[ [ 4.71505241, 0, 0 ], [ 2.35752621, 4.08335517, 0 ], [ 2.35752621, 1.36111839, 3.84982418 ] ]
agm001372998
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[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ir", "Au", "Li", "Dy" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.834505, 0, 0 ], [ 0, 2.834505, 0 ], [ 0, 0, 2.834505 ] ]
-20.721187
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000002
0.582464
pbe
true
6ee71365c6fb7e5f296bbde9036877bf_216_Li1Dy1Ir1Au1
[ "Au", "Dy", "Rb", "S" ]
16
A4B2CD
AuDy2RbS4
Rb2 Dy4 Au2 S8
4
[ 1, 1, 1 ]
3
[ [ 4.05803654, 0, 0 ], [ -2.02901827, 6.91406038, 0 ], [ 0, 0, 14.15675398 ] ]
agm004779095
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Rb", "Rb", "Dy", "Dy", "Dy", "Dy", "Au", "Au", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.125, 0.5 ]
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-84.442474
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0
-0.000273
pbe
true
e7b220949bb78f8d953976b25e1ad94b_63_Rb2Dy4Au2S8
[ "Au", "Fe", "O", "Pm" ]
10
A6B2CD
AuFeO6Pm2
Pm2 Fe1 Au1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.03259943, 0, 0 ], [ 0, 5.3826824, 0 ], [ 0, 0, 5.3826824 ] ]
agm004986221
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Pm", "Pm", "Fe", "Au", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.2 ]
[ [ 0.81745714, 0, 0 ], [ 0, 0.5333726, 0 ], [ 0, 0, 0.5333726 ] ]
-66.558359
[ 0.02, 0.02, 4.21, -0.24, 0.033, 0.033, 0.157, -0.169, 0.033, 0.033 ]
[ [ -0.00293858, 0, 0 ], [ -0.00293858, 0, 0 ], [ 0.02046813, 0, 0 ], [ -0.00083047, 0, 0 ], [ 0.00486042, -0.00757351, -0.00757351 ], [ 0.00486042, -0.00757351, 0.00757351 ], [ -0.02943745, 0, 0 ], [ -0.00376471, 0, 0 ], [ 0.00486042, 0.00757351, 0.00757351 ], [ 0.00486042, 0.00757351, -0.00757351 ] ]
4.191862
2.206508
pbe
true
05a652472ab0c767d7cec4f6a1787ab2_99_Pm2Fe1Au1O6
[ "Au", "Fe", "La", "Na" ]
5
A2BCD
Au2FeLaNa
Na1 La1 Fe1 Au2
4
[ 1, 1, 1 ]
3
[ [ 5.0072646, 0, 0 ], [ 0, 4.7988255, 0 ], [ 0, 0, 5.0072646 ] ]
agm001587353
[ [ 0, 0, 0 ], [ 0, 0, 2.5036323 ], [ 2.5036323, 0, 0 ], [ 0, 2.39941275, 0 ], [ 2.5036323, 2.39941275, 2.5036323 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Na", "Au", "Au", "Fe", "La" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 3.3521912, 0, 0 ], [ 0, 4.0678554, 0 ], [ 0, 0, 3.3521912 ] ]
-18.973081
[ 0.003, 0.009, 0.01, 2.949, -0.166 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.525371
5.88625
pbe
true
05f27832466c139840df662db27055ca_123_Na1La1Fe1Au2
[ "Au", "Ga", "In", "K" ]
5
A2BCD
Au2GaInK
K1 In1 Ga1 Au2
4
[ 1, 1, 1 ]
3
[ [ 4.72224582, 0, 0 ], [ 0, 4.72224582, 0 ], [ -2.36112292, -2.36112291, 5.70500868 ] ]
agm005004407
[ [ 0, 0, 0 ], [ 2.361122905, 0, 2.85250434 ], [ -4.999999969612645e-9, 2.3611229099999997, 2.85250434 ], [ 2.361122931173296, 2.3611229336112296, 1.3908430637761044 ], [ -3.117329557202223e-8, -2.3611228917980472e-8, 4.314165616223895 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "K", "In", "Ga", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 3.2270737, 0, 0 ], [ 0, 3.2270737, 0 ], [ 0, 0, 3.2348006 ] ]
-14.788089
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00238446 ], [ 0, 0, -0.00238446 ] ]
-0.000005
2.440819
pbe
true
531159b3f08931cbf2849a361457c177_119_K1In1Ga1Au2
[ "Au", "Ge", "Hf", "Pd" ]
5
A2BCD
AuGe2HfPd
Hf1 Ge2 Pd1 Au1
4
[ 1, 1, 1 ]
3
[ [ 5.10082688, 0, 0 ], [ 0, 5.12384538, 0 ], [ 0, 0, 5.10082688 ] ]
agm001552052
[ [ 0, 0, 0 ], [ 0, 0, 2.55041344 ], [ 2.55041344, 0, 0 ], [ 0, 2.56192269, 0 ], [ 2.55041344, 2.56192269, 2.55041344 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Hf", "Ge", "Ge", "Au", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.1335332, 0, 0 ], [ 0, 4.0847726, 0 ], [ 0, 0, 2.1335332 ] ]
-23.61889
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.016174
pbe
true
c5c417143c64ab34fa7c7570dc8a6549_123_Hf1Ge2Pd1Au1
[ "Au", "Ho", "Pd", "Tb" ]
4
ABCD
AuHoPdTb
Tb1 Ho1 Pd1 Au1
4
[ 1, 1, 1 ]
3
[ [ 3.7469226, 0, 0 ], [ 0, 4.66716791, 0 ], [ -1.8734613, 0, 5.32368554 ] ]
agm005186722
[ [ 1.8734612997384757e-8, 0, 1.4834016941575598 ], [ 1.8734612812653868, 2.333583955, 3.8643939658634134 ], [ -1.873461303986267e-8, 0, 4.392424674411711 ], [ 1.873461318734613, 2.333583955, 0.9071613929383953 ] ]
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Tb", "Ho", "Pd", "Au" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.8182545, 0, 0 ], [ 0, 2.8662379, 0 ], [ 0, 0, 2.885486 ] ]
-21.31021
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00050092 ], [ 0, 0, -0.00127237 ], [ 0, 0, 0.00377762 ], [ 0, 0, -0.00200432 ] ]
-0.000005
2.05273
pbe
true
c4ae9360adba588a39bde1c0b1b7fe99_38_Tb1Ho1Pd1Au1
[ "Au", "In", "Li", "Pr" ]
8
A4B2CD
Au4InLi2Pr
Li2 Pr1 In1 Au4
4
[ 1, 1, 1 ]
3
[ [ 4.57327954, 0, 0 ], [ 2.28663977, 3.96057626, 0 ], [ 2.28663977, 1.32019208, 9.06009047 ] ]
agm004803374
[ [ 6.859919287133602, 3.9605762420626007, 6.435579317808722 ], [ 2.2866397928663975, 1.3201920979373993, 2.624511152191278 ], [ 0, 0, 0 ], [ 4.57327954, 2.64038417, 4.530045235 ], [ 4.573279562866397, 2.6403841811086393, 7.37484288327343 ], [ 6.859919332866398, 3.960576270797104, 3.2681790281700036 ], [ 2.286639747133602, 1.3201920692028961, 5.791911441829997 ], [ 4.573279517133601, 2.64038415889136, 1.6852475867265708 ] ]
[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "Li", "Li", "Pr", "In", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.5, 0.125, 0.25, 0.125 ]
[ [ 4.142636, 0, 0 ], [ 0, 4.142636, 0 ], [ 0, 0, 4.0609717 ] ]
-28.830968
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00042625 ], [ 0, 0, -0.00042625 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00003812 ], [ 0, 0, -0.00198349 ], [ 0, 0, 0.00198349 ], [ 0, 0, -0.00003812 ] ]
0.000006
3.003705
pbe
true
aec5994d8e02443399391c211711b5e2_166_Li2Pr1In1Au4
[ "Au", "In", "Sb", "Sr" ]
5
A2BCD
AuInSbSr2
Sr2 In1 Sb1 Au1
4
[ 1, 1, 1 ]
3
[ [ 6.22635777, 0, 0 ], [ 0, 5.58027251, 0 ], [ 0, 0, 6.22635777 ] ]
agm001566418
[ [ 0, 0, 0 ], [ 3.113178885, 2.790136255, 3.113178885 ], [ 0, 0, 3.113178885 ], [ 3.113178885, 0, 0 ], [ 0, 2.790136255, 0 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sb", "Au", "Sr", "Sr", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.6422342, 0, 0 ], [ 0, 1.1704898, 0 ], [ 0, 0, 1.6422342 ] ]
-13.952589
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000015
4.139699
pbe
true
2d553ca7cff693751fa44b0d1a6026ba_123_Sr2In1Sb1Au1
[ "Au", "Ir", "Pa", "Si" ]
10
A4B3C2D
AuIr4Pa2Si3
Pa2 Si3 Ir4 Au1
4
[ 1, 1, 1 ]
3
[ [ 3.98305708, 0, 0 ], [ 0, 3.98305708, 0 ], [ 0, 0, 11.10516085 ] ]
agm004521736
[ [ 1.99152854, 0, 2.737854140282065 ], [ 0, 1.99152854, 8.367306709717935 ], [ 0, 0, 5.552580425 ], [ 1.99152854, 0, 9.788730540435523 ], [ 0, 1.99152854, 1.3164303095644785 ], [ 1.99152854, 1.99152854, 0 ], [ 0, 0, 0 ], [ 1.99152854, 0, 7.469325968284401 ], [ 0, 1.99152854, 3.6358348817155997 ], [ 1.99152854, 1.99152854, 5.552580425 ] ]
[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Pa", "Pa", "Si", "Si", "Si", "Ir", "Ir", "Ir", "Ir", "Au" ]
2023-11-16 06:57:59
[ 0.1, 0.4, 0.2, 0.3 ]
[ [ 4.6169357, 0, 0 ], [ 0, 4.6169357, 0 ], [ 0, 0, 4.29302 ] ]
-82.105276
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00112086 ], [ 0, 0, -0.00112086 ], [ 0, 0, 0 ], [ 0, 0, -0.00291453 ], [ 0, 0, 0.00291453 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00061266 ], [ 0, 0, -0.00061266 ], [ 0, 0, 0 ] ]
-0.001235
7.613061
pbe
true
c099eae9e6939dc932ab90a387598967_115_Pa2Si3Ir4Au1
[ "Au", "K", "Ni", "O" ]
11
A6B2C2D
Au2K2NiO6
K2 Ni1 Au2 O6
4
[ 1, 1, 1 ]
3
[ [ 5.94750329, 0, 0 ], [ 2.97375164, 5.15068893, 0 ], [ 2.97375164, 1.71689631, 5.97369262 ] ]
agm004571243
[ [ 8.921254957661558, 5.150688947168964, 3.720340375735135 ], [ 2.9737516123384418, 1.716896292831037, 2.2533522442648644 ], [ 0, 0, 0 ], [ 5.947500340022143, 3.433790920272653, 4.7139548842341155 ], [ 5.947506229977857, 3.433794319727347, 1.259737735765884 ], [ 7.625181079458044, 4.402400344718073, 1.370799374481474 ], [ 4.269825549939965, 4.402400344718073, 1.370799374481474 ], [ 5.947503317519814, 1.4965772220707445, 1.370799374481474 ], [ 5.947503252480186, 5.371008017929255, 4.602893245518525 ], [ 7.625181020060036, 2.4651848952819275, 4.602893245518525 ], [ 4.269825490541956, 2.4651848952819275, 4.602893245518525 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "K", "K", "Ni", "Au", "Au", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.18181818181818182, 0.09090909090909091, 0.5454545454545454 ]
[ [ 0.38812333, 0, 0 ], [ 0, 0.38812333, 0 ], [ 0, 0, 1.1084433 ] ]
-45.566399
[ 0.001, 0.001, 1.686, 0.109, 0.109, 0.097, 0.097, 0.097, 0.097, 0.097, 0.097 ]
[ [ 0, 0, -0.00055993 ], [ 0, 0, 0.00055993 ], [ 0, 0, 0 ], [ 0, 0, -0.00399178 ], [ 0, 0, 0.00399178 ], [ -0.00445714, -0.00257333, -0.00335344 ], [ 0.00445714, -0.00257333, -0.00335344 ], [ 0, 0.00514667, -0.00335344 ], [ 0, -0.00514667, 0.00335344 ], [ -0.00445714, 0.00257333, 0.00335344 ], [ 0.00445714, 0.00257333, 0.00335344 ] ]
2.605259
6.3347
pbe
true
170e08884e883d787b82fddcca25e7ee_166_K2Ni1Au2O6
[ "Au", "K", "Rb", "Sn" ]
5
A2BCD
AuK2RbSn
K2 Rb1 Sn1 Au1
4
[ 1, 1, 1 ]
3
[ [ 6.85304412, 0, 0 ], [ 0, 6.85304412, 0 ], [ 0, 0, 5.23338818 ] ]
agm001659363
[ [ 0, 3.42652206, 0 ], [ 3.42652206, 0, 0 ], [ 0, 0, 2.61669409 ], [ 0, 0, 0 ], [ 3.42652206, 3.42652206, 2.61669409 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "K", "K", "Au", "Sn", "Rb" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.7570063, 0, 0 ], [ 0, 1.7570063, 0 ], [ 0, 0, 1.9548118 ] ]
-10.676915
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
2.659224
pbe
true
639b8e41bf7cf4a48baf660d77571cca_123_K2Rb1Sn1Au1
[ "Au", "K", "Se", "Sm" ]
10
A2BCD
AuKSe2Sm
K2 Sm2 Au2 Se4
4
[ 1, 1, 1 ]
3
[ [ 4.99734926, 0, 0 ], [ 0, 7.69316745, 0.51235262 ], [ 0, -1.7905421, 7.92110401 ] ]
agm004995257
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "K", "K", "Sm", "Sm", "Au", "Au", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.8365221, 0, 0 ], [ 0, 1.4847206, -0.03814962 ], [ 0, -0.03814976, 1.7896909 ] ]
-43.084223
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00373368, 0, 0 ], [ 0.00373368, 0, 0 ], [ 0.0004439, 0, 0 ], [ -0.0004439, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00180083, -0.00216831, -0.00126858 ], [ -0.00180083, 0.00216831, 0.00126858 ], [ 0.00180083, -0.00216831, -0.00126858 ], [ 0.00180083, 0.00216831, 0.00126858 ] ]
-0.000036
5.615653
pbe
true
3f9f01b10193c72c861785f6a2367bae_13_K2Sm2Au2Se4
[ "Au", "Lu", "Sn", "Tb" ]
4
ABCD
AuLuSnTb
Tb1 Lu1 Sn1 Au1
4
[ 1, 1, 1 ]
3
[ [ 5.18138662, 0, 0 ], [ 2.59069331, 4.48721244, 0 ], [ 2.59069331, 1.49573748, 4.23058446 ] ]
agm001335343
[ [ 7.772079929999999, 4.48721244, 3.1729383450000004 ], [ 5.18138662, 2.99147496, 2.11529223 ], [ 0, 0, 0 ], [ 2.59069331, 1.49573748, 1.057646115 ] ]
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Au", "Lu", "Tb", "Sn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.6629062, 0, 0 ], [ 0, 2.6629062, 0 ], [ 0, 0, 2.6629062 ] ]
-19.197764
[ 0.022, 0.117, 0.137, -0.009 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.387549
3.987819
pbe
true
9fad7f15c2f71a11386a61dad45621a2_216_Tb1Lu1Sn1Au1
[ "Au", "Mg", "Tc", "W" ]
5
A2BCD
AuMgTcW2
Mg1 Tc1 W2 Au1
4
[ 1, 1, 1 ]
3
[ [ 4.56502468, 0, 0 ], [ 0, 4.41355607, 0 ], [ 0, 0, 4.56502468 ] ]
agm001511104
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[ "Mg", "Au", "Tc", "W", "W" ]
2023-11-16 06:57:59
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0.000001
4.830515
pbe
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8ccfb3e98932506a99c78b825e1e6478_123_Mg1Tc1W2Au1
[ "Au", "Mn", "Sb", "Tc" ]
5
A2BCD
Au2MnSbTc
Mn1 Tc1 Sb1 Au2
4
[ 1, 1, 1 ]
3
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agm001521586
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[ "Sb", "Mn", "Au", "Au", "Tc" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
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7.660172
5.937177
pbe
true
54e55323e2d73b259dfab8311d6916a3_123_Mn1Tc1Sb1Au2
[ "Au", "N", "Pt", "Ti" ]
5
A2BCD
Au2NPtTi
Ti1 Pt1 Au2 N1
4
[ 1, 1, 1 ]
3
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agm001596715
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[ "N", "Au", "Au", "Pt", "Ti" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
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0.023369
8.353109
pbe
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09276ffc1259ffdde08f277e162e302d_123_Ti1Pt1Au2N1
[ "Au", "Nd", "Ni", "Sn" ]
10
A4B3C2D
AuNd2Ni3Sn4
Nd2 Ni3 Sn4 Au1
4
[ 1, 1, 1 ]
3
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agm004526112
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Nd", "Nd", "Ni", "Ni", "Ni", "Sn", "Sn", "Sn", "Sn", "Au" ]
2023-11-16 06:57:59
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0
4.776929
pbe
true
0b0a1aa0ac316546ae23671b363251a7_115_Nd2Ni3Sn4Au1
[ "Au", "Np", "O", "Pa" ]
18
A6BCD
AuNpO6Pa
Np2 Pa2 Au2 O12
4
[ 1, 1, 1 ]
3
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agm005079728
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[ "Np", "Np", "Pa", "Pa", "Au", "Au", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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1.99995
1.135128
pbe
true
e5bd4e263c562e449713f66983610335_163_Np2Pa2Au2O12
[ "Au", "O", "P", "Sr" ]
12
A8B2CD
AuO8P2Sr
Sr1 P2 Au1 O8
4
[ 1, 1, 1 ]
3
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agm004878673
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[ "Sr", "P", "P", "Au", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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1.06788
4.822057
pbe
true
c45b71a75ead86085b67cca253ed6a9e_155_Sr1P2Au1O8
[ "Au", "P", "Se", "Tb" ]
8
A4B2CD
AuPSe2Tb4
Tb4 P1 Au1 Se2
4
[ 1, 1, 1 ]
3
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agm004821949
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[ "Tb", "Tb", "Tb", "Tb", "P", "Au", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.25, 0.5 ]
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3.858623
pbe
true
bcdc873fbedfcd9130403a5c364eb230_10_Tb4P1Au1Se2
[ "Au", "Rb", "Te", "Th" ]
16
A8B4C3D
AuRb4Te8Th3
Rb4 Th3 Te8 Au1
4
[ 1, 1, 1 ]
3
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agm004731016
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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Rb", "Rb", "Rb", "Rb", "Th", "Th", "Th", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Au" ]
2023-11-16 06:57:59
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6.187418
pbe
true
813c8a788d94f8094257f393542bc22a_12_Rb4Th3Te8Au1
[ "B", "Ba", "I", "O" ]
5
A2BCD
BBaI2O
Ba1 B1 I2 O1
4
[ 1, 1, 1 ]
3
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agm001706135
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "I", "B", "Ba", "O" ]
2023-11-16 06:57:59
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pbe
true
12f9492f7f79dff118c89574ca4ad998_123_Ba1B1I2O1
[ "B", "Ba", "O", "Sc" ]
14
A8B3C2D
B2Ba3O8Sc
Ba3 Sc1 B2 O8
4
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3
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agm004667823
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[ "Ba", "Ba", "Ba", "Sc", "B", "B", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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1.05421
5.587651
pbe
true
09a6ca54a1ef6bc69bdb87f60635cd10_164_Ba3Sc1B2O8
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20
A5B2C2D
B2BeCo5Tb2
Tb4 Be2 Co10 B4
4
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3
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agm005138400
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2023-11-16 06:57:59
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0.02277
14.325152
pbe
true
95ae42b7c18da396e43e3508d5ec9239_127_Tb4Be2Co10B4
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5
A2BCD
B2BeIZr
Zr1 Be1 B2 I1
4
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3
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agm001451051
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[ "I", "Be", "B", "B", "Zr" ]
2023-11-16 06:57:59
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-0
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pbe
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82f0aea7ea1bb23b4b9d95d3c55f089f_123_Zr1Be1B2I1
[ "B", "Br", "Na", "Se" ]
5
A2BCD
B2BrNaSe
Na1 B2 Se1 Br1
4
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3
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agm001467001
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2023-11-16 06:57:59
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-0.000031
2.46196
pbe
true
1a9fa7b626741561ce11f3d0bcab4edb_123_Na1B2Se1Br1
[ "B", "Ca", "Na", "O" ]
12
A6B3C2D
B2CaNa3O6
Na3 Ca1 B2 O6
4
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3
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agm004663896
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[ "Na", "Na", "Na", "Ca", "B", "B", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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1.016641
4.463543
pbe
true
f0ec9c3917e985abc9841ea2e7e1b8a1_164_Na3Ca1B2O6
[ "B", "Ca", "Cu", "Pt" ]
5
A2BCD
BCaCuPt2
Ca1 Cu1 B1 Pt2
4
[ 1, 1, 1 ]
3
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agm001633283
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[ "Ca", "B", "Cu", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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0.000007
3.551831
pbe
true
f462ab70165c34c9aba45aa1c2e07291_123_Ca1Cu1B1Pt2
[ "B", "Ca", "Na", "Sr" ]
5
A2BCD
BCa2NaSr
Na1 Sr1 Ca2 B1
4
[ 1, 1, 1 ]
3
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agm001439627
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[ "Sr", "Ca", "Ca", "B", "Na" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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0.776664
5.778813
pbe
true
de085e71783452f35d3366c418dc48e6_123_Na1Sr1Ca2B1
[ "B", "Cd", "Zn", "Zr" ]
5
A2BCD
BCdZn2Zr
Zr1 Zn2 Cd1 B1
4
[ 1, 1, 1 ]
3
[ [ 4.84904228, 0, 0 ], [ 0, 4.17684511, 0 ], [ 0, 0, 4.84904228 ] ]
agm001437921
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Zn", "B", "Zr", "Cd" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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0
2.325778
pbe
true
1cdc9bdc3addeac8b3438ec5161563ad_123_Zr1Zn2Cd1B1
[ "B", "Co", "Fe", "Tb" ]
5
A2BCD
B2CoFeTb
Tb1 Fe1 Co1 B2
4
[ 1, 1, 1 ]
3
[ [ 3.61988789, 0, 0 ], [ 0, 3.61988789, 0 ], [ -1.80994395, -1.80994394, 4.65337341 ] ]
agm005021088
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
[ "Tb", "Fe", "Co", "B", "B" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
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0.000019
1.818599
pbe
true
a290954b2041f6f777c3b15d66fcb882_119_Tb1Fe1Co1B2
[ "B", "Cl", "P", "Tl" ]
5
A2BCD
BCl2PTl
Tl1 B1 P1 Cl2
4
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3
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agm001687137
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "Tl", "B", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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1.374091
3.154255
pbe
true
b3e7a9b9ab7e922ddb1fe4066b7c9844_123_Tl1B1P1Cl2
[ "B", "Co", "In", "Ti" ]
5
A2BCD
BCoInTi2
Ti2 In1 Co1 B1
4
[ 1, 1, 1 ]
3
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agm001548275
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "B", "Ti", "Ti", "Co", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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1.29246
4.953583
pbe
true
384c89dbb63f6648c34a3cfc2e7bf305_123_Ti2In1Co1B1
[ "B", "Co", "N", "U" ]
8
ABCD
BCoNU
U2 Co2 B2 N2
4
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3
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agm002200525
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2023-11-16 06:57:59
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A2BCD
BCo2ScSr
Sr1 Sc1 Co2 B1
4
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3
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agm001440023
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2023-11-16 06:57:59
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1.443876
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cb95cbaf43e120659a1ba0cda512b33c_123_Sr1Sc1Co2B1
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A2BCD
BCrISb2
Cr1 B1 Sb2 I1
4
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3
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agm001779098
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2023-11-16 06:57:59
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3.926331
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5
A2BCD
BCrI2Sb
Cr1 B1 Sb1 I2
4
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3
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agm001710041
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2023-11-16 06:57:59
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pbe
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cae6d105ac0499a6dc2cbadd59c26561_123_Cr1B1Sb1I2
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5
A2BCD
BCrNaSc2
Na1 Sc2 Cr1 B1
4
[ 1, 1, 1 ]
3
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agm001445184
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2023-11-16 06:57:59
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1.86133
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pbe
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739406fa11a256f7de056f9b2a325409_123_Na1Sc2Cr1B1
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ABCD
BCuOS
Cu2 B2 S2 O2
4
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3
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agm004486421
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[ "S", "S", "B", "B", "O", "O", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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0.919006
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pbe
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3086590cdb693acce97b3e83a0229c30_129_Cu2B2S2O2
[ "B", "Cu", "Ru", "Ta" ]
20
A5B2C2D
B2CuRu5Ta2
Ta4 Cu2 B4 Ru10
4
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3
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agm005134021
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[ "Ta", "Ta", "Ta", "Ta", "Cu", "Cu", "B", "B", "B", "B", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru" ]
2023-11-16 06:57:59
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pbe
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a720d2e6d77db7ce1488e15e779b4c77_127_Ta4Cu2B4Ru10
[ "B", "F", "H", "Sb" ]
9
A6BCD
BFH6Sb
B1 Sb1 H6 F1
4
[ 1, 1, 1 ]
3
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agm005096839
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[ "B", "Sb", "H", "H", "H", "H", "H", "H", "F" ]
2023-11-16 06:57:59
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0
1.418127
pbe
true
873b5718ac50a0e1ab37e39ce24ff65b_1_B1Sb1H6F1
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5
A2BCD
B2FOsP
B2 P1 Os1 F1
4
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3
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agm001425903
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[ "P", "B", "B", "Os", "F" ]
2023-11-16 06:57:59
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0.000253
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5
A2BCD
BFe2NiSc
Sc1 Fe2 Ni1 B1
4
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3
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agm001666648
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[ "Sc", "Ni", "B", "Fe", "Fe" ]
2023-11-16 06:57:59
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74a9afec1735b11d9e25b8a6594091cc_123_Sc1Fe2Ni1B1
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A6B2C2D
B2GaO6Pb2
Ga1 B2 Pb2 O6
4
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agm004576821
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[ "Ga", "B", "B", "Pb", "Pb", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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pbe
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11100ce1acf98ad1bcdceb43371bb468_12_Ga1B2Pb2O6
[ "B", "H", "Hf", "Zn" ]
5
A2BCD
BHHfZn2
Hf1 Zn2 B1 H1
4
[ 1, 1, 1 ]
3
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agm001530127
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[ "H", "Zn", "Zn", "B", "Hf" ]
2023-11-16 06:57:59
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0.862356
4.043306
pbe
true
865394df9297140d6299c7520f138147_123_Hf1Zn2B1H1
[ "B", "In", "Nb", "Sr" ]
5
A2BCD
BInNb2Sr
Sr1 Nb2 In1 B1
4
[ 1, 1, 1 ]
3
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agm001591988
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[ "Sr", "Nb", "Nb", "B", "In" ]
2023-11-16 06:57:59
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0.000002
5.437272
pbe
true
53695e0d03c878b0d61834e8c190fd9b_123_Sr1Nb2In1B1
[ "B", "La", "Pb", "Zn" ]
5
A2BCD
BLaPb2Zn
La1 Zn1 B1 Pb2
4
[ 1, 1, 1 ]
3
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agm001434688
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[ "Pb", "Pb", "Zn", "B", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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4.226211
pbe
true
4ae8f07484154ed7b6ceef8f2665d373_123_La1Zn1B1Pb2
[ "B", "Li", "Pt", "Zr" ]
4
ABCD
BLiPtZr
B1 Li1 Pt1 Zr1
4
[ 1, 1, 1 ]
3
[ [ 0, 2.953067, 2.953067 ], [ 2.953067, 0, 2.953067 ], [ 2.953067, 2.953067, 0 ] ]
oqmd-2868133
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[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "B", "Li", "Pt", "Zr" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.25, 0.25 ]
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-24.4813
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0.000317
null
pbe
true
2f3025ea99f1ff045dc1096d4bf1a68c_216_Li1Zr1B1Pt1
[ "B", "Li", "Pt", "Tb" ]
18
A12B3C2D
B3LiPt12Tb2
Li1 Tb2 B3 Pt12
4
[ 1, 1, 1 ]
3
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agm004495155
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[ "Li", "Tb", "Tb", "B", "B", "B", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
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-0.000002
5.261845
pbe
true
8033786ae22cd69b6d01da41a55313ad_166_Li1Tb2B3Pt12
[ "B", "N", "Pr", "Ta" ]
11
A6B2C2D
B2N6Pr2Ta
Pr2 Ta1 B2 N6
4
[ 1, 1, 1 ]
3
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agm004573095
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[ "Pr", "Pr", "Ta", "B", "B", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
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0.000001
4.789964
pbe
true
399be43b454ee72f125e409df192e528_166_Pr2Ta1B2N6
[ "B", "N", "Os", "Y" ]
5
A2BCD
BN2OsY
Y1 B1 Os1 N2
4
[ 1, 1, 1 ]
3
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agm001573223
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[ "Y", "B", "Os", "N", "N" ]
2023-11-16 06:57:59
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0
2.054976
pbe
true
e97333b76501dd9efb101dde7f06f3ed_123_Y1B1Os1N2
[ "B", "Ni", "P", "Re" ]
8
ABCD
BNiPRe
Re2 Ni2 B2 P2
4
[ 1, 1, 1 ]
3
[ [ 3.08987383, 0, 0 ], [ 0, 2.99797892, 0 ], [ 0, 0, 9.8433607 ] ]
agm002126774
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[ "Re", "Re", "B", "B", "P", "P", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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-0.000001
4.888157
pbe
true
5885b8bf02b7beba78097b9b45f6af06_44_Re2Ni2B2P2
[ "B", "O", "P", "Pb" ]
5
A2BCD
BOP2Pb
B1 P2 Pb1 O1
4
[ 1, 1, 1 ]
3
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agm001759882
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[ "Pb", "P", "P", "B", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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5.239173
pbe
true
7f4a63a84551c9b0d57539fdd6fd8cbd_123_B1P2Pb1O1
[ "B", "O", "P", "Sr" ]
5
A2BCD
BOP2Sr
Sr1 B1 P2 O1
4
[ 1, 1, 1 ]
3
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agm001759908
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[ "Sr", "B", "O", "P", "P" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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4.773823
4.252591
pbe
true
744809b1b95a1ec0b7b45357d2a199ed_123_Sr1B1P2O1
[ "Ba", "Be", "Ca", "N" ]
5
A2BCD
BaBe2CaN
Ba1 Ca1 Be2 N1
4
[ 1, 1, 1 ]
3
[ [ 4.87251331, 0, 0 ], [ 0, 7.54732046, 0 ], [ 0, 0, 4.87251331 ] ]
agm001512425
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Be", "Be", "Ca", "Ba", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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0.783822
7.27861
pbe
true
dc6c75db288906b04718bd8c6d4a4bf9_123_Ba1Ca1Be2N1
[ "Ba", "Bi", "Cu", "Pd" ]
4
ABCD
BaBiCuPd
Ba1 Bi1 Cu1 Pd1
4
[ 1, 1, 1 ]
3
[ [ 0, 3.67059, 3.67059 ], [ 3.67059, 0, 3.67059 ], [ 3.67059, 3.67059, 0 ] ]
oqmd-2885328
[ [ 3.67059, 3.67059, 3.67059 ], [ 0, 0, 0 ], [ 5.505889999999998, 5.505889999999998, 5.505889999999998 ], [ 1.8352999999999984, 1.8352999999999984, 1.8352999999999984 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"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"]}]
[ "Ba", "Bi", "Cu", "Pd" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 9.66612, 0, 0 ], [ 0, 9.66612, 0 ], [ 0, 0, 9.66612 ] ]
-15.6907
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
null
null
pbe
true
ab52f6859887ef7f6d2b942620e94359_216_Ba1Cu1Bi1Pd1
[ "Ba", "Be", "Sc", "Zn" ]
5
A2BCD
Ba2BeScZn
Ba2 Sc1 Be1 Zn1
4
[ 1, 1, 1 ]
3
[ [ 6.23708788, 0, 0 ], [ 0, 4.37202987, 0 ], [ 0, 0, 6.23708788 ] ]
agm001457227
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Sc", "Be", "Zn", "Ba", "Ba" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.838832, 0, 0 ], [ 0, 0.96640486, 0 ], [ 0, 0, 0.838832 ] ]
-12.867048
[ 0.506, 0.003, -0.007, 0.045, 0.037 ]
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0.994803
7.420028
pbe
true
7adaa8a3edb066f314053232f6392fdc_123_Ba2Sc1Be1Zn1
[ "Ba", "Br", "Hf", "Rh" ]
5
A2BCD
BaBrHf2Rh
Ba1 Hf2 Rh1 Br1
4
[ 1, 1, 1 ]
3
[ [ 4.85936405, 0, 0 ], [ 0, 7.76018361, 0 ], [ 0, 0, 4.85936405 ] ]
agm001533460
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Rh", "Hf", "Hf", "Ba", "Br" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-30.332201
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0
5.201183
pbe
true
8937d4867bb10ea9c3b8006357c43657_123_Ba1Hf2Rh1Br1
[ "Ba", "C", "Pd", "W" ]
5
A2BCD
BaCPd2W
Ba1 Pd2 W1 C1
4
[ 1, 1, 1 ]
3
[ [ 4.76525029, 0, 0 ], [ 0, 6.46702621, 0 ], [ 0, 0, 4.76525029 ] ]
agm001592813
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[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "C", "Pd", "Pd", "Ba", "W" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.2930989, 0, 0 ], [ 0, -0.5340461, 0 ], [ 0, 0, 0.2930989 ] ]
-24.403282
[ 0.989, -0.046, -0.027, 0.029, -0.24 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.757982
5.690788
pbe
true
1570832acec99a4255c3f1cc06bf1fc2_123_Ba1Pd2W1C1
[ "Ba", "Cd", "V", "W" ]
5
A2BCD
BaCd2VW
Ba1 V1 Cd2 W1
4
[ 1, 1, 1 ]
3
[ [ 5.55387535, 0, 0 ], [ 0, 4.83972999, 0 ], [ 0, 0, 5.55387535 ] ]
agm001560252
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "V", "Ba", "W", "Cd", "Cd" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 3.1653087, 0, 0 ], [ 0, 2.8673637, 0 ], [ 0, 0, 3.1653087 ] ]
-11.511
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0.000451
12.027627
pbe
true
2258d052a138e946214190c13c89bab0_123_Ba1V1Cd2W1
[ "Ba", "Cl", "Cu", "O" ]
11
A4B3C2D2
Ba3Cl2Cu2O4
Ba3 Cu2 Cl2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.0901989, 0.0001033, 0.00036976 ], [ 0.0001033, 4.0901989, 0.00036976 ], [ -2.04402594, -2.04402594, 12.3987258 ] ]
agm002173052
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "O", "O", "O", "O", "Ba", "Ba", "Ba", "Cu", "Cu", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.2727272727272727, 0.18181818181818182, 0.18181818181818182, 0.36363636363636365 ]
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-57.883391
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-0.000285
2.260425
pbe
true
b028e69e16986781c3afeb2ecfb2f244_139_Ba3Cu2Cl2O4
[ "Ba", "Cu", "F", "Na" ]
12
A8B2CD
BaCuF8Na2
Ba1 Na2 Cu1 F8
4
[ 1, 1, 1 ]
3
[ [ 5.23014883, 0.18769246, 0.0055254 ], [ 0.18979505, 4.67159371, 0.91370418 ], [ 0.20202933, 1.33155982, 6.97178137 ] ]
agm004891790
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Ba", "Na", "Na", "Cu", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.08333333333333333, 0.6666666666666666, 0.16666666666666666 ]
[ [ 2.661979, 0.17753166, 0.07469236 ], [ 0.17753194, 2.094217, 0.13269192 ], [ 0.07469235, 0.13269216, 2.0247865 ] ]
-52.124618
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2.17652
3.441995
pbe
true
0e113f799b362aa38ad5602687bda0f7_2_Ba1Na2Cu1F8
[ "Ba", "Cu", "Ga", "Sn" ]
10
A4B3C2D
Ba2Cu3GaSn4
Ba2 Ga1 Cu3 Sn4
4
[ 1, 1, 1 ]
3
[ [ 4.69736016, 0, 0 ], [ 0, 4.69736016, 0 ], [ 0, 0, 11.23678101 ] ]
agm004525562
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"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"]}]
[ "Ba", "Ba", "Ga", "Cu", "Cu", "Cu", "Sn", "Sn", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.2, 0.3, 0.1, 0.4 ]
[ [ -1.0735649, 0, 0 ], [ 0, -1.0735649, 0 ], [ 0, 0, -1.9812809 ] ]
-38.810239
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0
4.312148
pbe
true
f8a6d2dc721b8cbb9fbd4c0ba6976a3f_115_Ba2Ga1Cu3Sn4
[ "Ba", "Cu", "Os", "Re" ]
4
ABCD
BaCuOsRe
Ba1 Cu1 Os1 Re1
4
[ 1, 1, 1 ]
3
[ [ 0, 3.331152, 3.331152 ], [ 3.331152, 0, 3.331152 ], [ 3.331152, 3.331152, 0 ] ]
oqmd-2885486
[ [ 3.331149999999997, 3.331149999999997, 3.331149999999997 ], [ 4.996730000000003, 4.996730000000003, 4.996730000000003 ], [ 0, 0, 0 ], [ 1.6655799999999992, 1.6655799999999992, 1.6655799999999992 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
[ "Ba", "Cu", "Os", "Re" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 6.16213, 0, 0 ], [ 0, 6.16213, 0 ], [ 0, 0, 6.16213 ] ]
-24.1926
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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.001009
null
pbe
true
89bedfa6c8e68ad32078feb238902c48_216_Ba1Cu1Re1Os1
[ "Ba", "Fe", "Ge", "In" ]
5
A2BCD
BaFeGeIn2
Ba1 In2 Fe1 Ge1
4
[ 1, 1, 1 ]
3
[ [ 5.11314722, 0, 0 ], [ 0, 5.11314722, 0 ], [ 0, 0, 4.77076213 ] ]
agm001642577
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}]
[ "Fe", "Ge", "Ba", "In", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 3.1363719, 0, 0 ], [ 0, 3.1363719, 0 ], [ 0, 0, 2.902635 ] ]
-21.297355
[ 1.421, -0.031, 0.047, -0.043, -0.043 ]
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1.411415
3.278232
pbe
true
9afd6e4ac38df36f1467dfaa6449e6f3_123_Ba1In2Fe1Ge1
[ "Ba", "Fe", "H", "Hg" ]
12
A8B2CD
BaFeH8Hg2
Ba1 Fe1 Hg2 H8
4
[ 1, 1, 1 ]
3
[ [ 4.74344504, 0.00002403, -0.00002426 ], [ -2.37170171, 4.10795629, 0.00002471 ], [ -0.00003518, 0.00002106, 6.94650737 ] ]
agm002216179
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}]
[ "Fe", "H", "H", "H", "H", "H", "H", "H", "H", "Hg", "Hg", "Ba" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.08333333333333333, 0.6666666666666666, 0.16666666666666666 ]
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-37.476233
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0.000005
0
pbe
true
0f5e9ace92f0e182b01cf129582498ad_164_Ba1Fe1Hg2H8
[ "Ba", "Ga", "In", "Zn" ]
10
A4B3C2D
Ba2Ga4In3Zn
Ba2 Zn1 In3 Ga4
4
[ 1, 1, 1 ]
3
[ [ 4.79149407, 0, 0 ], [ 0, 4.79149407, 0 ], [ 0, 0, 11.37265888 ] ]
agm004532656
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ba", "Ba", "Zn", "In", "In", "In", "Ga", "Ga", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.3, 0.1 ]
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-29.05301
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0.000002
3.233643
pbe
true
713c651bf979aec2f3d2b34a9d9a7054_115_Ba2Zn1In3Ga4
[ "Ba", "Ga", "Rb", "Zr" ]
5
A2BCD
Ba2GaRbZr
Rb1 Ba2 Zr1 Ga1
4
[ 1, 1, 1 ]
3
[ [ 6.65838954, 0, 0 ], [ 0, 5.45724265, 0 ], [ 0, 0, 6.65838954 ] ]
agm001550002
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Rb", "Ga", "Ba", "Ba", "Zr" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.56000584, 0, 0 ], [ 0, 0.3564047, 0 ], [ 0, 0, 0.56000584 ] ]
-14.627705
[ 0.006, 0.033, 0.026, 0.011, 0.955 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.91576
8.434132
pbe
true
96eb6abaf9d92dc5054def57ecbfaec5_123_Rb1Ba2Zr1Ga1
[ "Ba", "Ge", "O", "Tl" ]
20
A12B4C3D
BaGe4O12Tl3
Ba1 Tl3 Ge4 O12
4
[ 1, 1, 1 ]
3
[ [ 7.45310727, -0.04343202, -0.06033893 ], [ -1.837929, 7.223068, -0.06033893 ], [ -1.837929, -2.34999863, 6.83036299 ] ]
agm004706856
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Tl", "Tl", "Tl", "Ge", "Ge", "Ge", "Ge", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.05, 0.2, 0.6, 0.15 ]
[ [ 0.46951544, 0.07955456, 0.11052301 ], [ 0.07955456, 0.50901544, 0.14131609 ], [ 0.11052301, 0.14131609, 0.6036226 ] ]
-111.73821
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ -0.00245734, 0.00192188, 0 ], [ 0.00245734, 0.00061005, -0.00182249 ], [ 0, -0.00253193, 0.00182249 ], [ -0.00493853, 0.00386241, 0 ], [ 0.00493853, 0.00122602, -0.00366266 ], [ 0, -0.00508844, 0.00366266 ], [ 0, 0, 0 ], [ 0, 0.00058662, -0.00042225 ], [ 0.00002253, 0.00000559, -0.00001671 ], [ -0.00002253, 0.00001762, 0 ], [ 0, -0.00002321, 0.00001671 ], [ 0.00265886, 0.0009851, -0.00419273 ], [ -0.00480288, 0.00154722, -0.00039672 ], [ 0.00031545, -0.00487037, 0.00134128 ], [ -0.00265886, 0.00428859, 0.00039672 ], [ -0.00031545, -0.00281789, 0.00419273 ], [ 0.00480288, 0.00086733, -0.00134128 ], [ -0.00056933, -0.00014134, 0.00042225 ], [ 0.00056933, -0.00044527, 0 ] ]
0
3.194069
pbe
true
b37739bb69ff42b0b1897653f67d3e34_155_Ba1Tl3Ge4O12
[ "Ba", "Hg", "Rh", "Sr" ]
5
A2BCD
Ba2HgRhSr
Ba2 Sr1 Hg1 Rh1
4
[ 1, 1, 1 ]
3
[ [ 5.96463957, 0, 0 ], [ 0, 5.96463957, 0 ], [ 0, 0, 5.58709079 ] ]
agm001650480
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Rh", "Hg", "Ba", "Ba" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 2.1466808, 0, 0 ], [ 0, 2.1466808, 0 ], [ 0, 0, 1.981385 ] ]
-13.689579
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.001514
5.157236
pbe
true
3507a13a1f2c44c332f59483c7d7c231_123_Ba2Sr1Hg1Rh1
[ "Ba", "In", "K", "Li" ]
4
ABCD
BaInKLi
K1 Ba1 Li1 In1
4
[ 1, 1, 1 ]
3
[ [ 6.04815766, 0, 0 ], [ 3.02407883, 5.23785818, 0 ], [ 3.02407883, 1.74595273, 4.93830005 ] ]
agm001381474
[ [ 0, 0, 0 ], [ 3.02407883, 1.7459527275, 1.2345750125 ], [ 6.04815766, 3.491905455, 2.469150025 ], [ 9.07223649, 5.2378581825, 3.7037250375 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "K", "Li", "Ba", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.3125706, 0, 0 ], [ 0, 1.3125706, 0 ], [ 0, 0, 1.3125706 ] ]
-7.752661
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.001132
4.783437
pbe
true
47689616e3a035fa1a7edd44454524bd_216_K1Ba1Li1In1
[ "Ba", "In", "Rh", "Si" ]
5
A2BCD
BaInRh2Si
Ba1 In1 Si1 Rh2
4
[ 1, 1, 1 ]
3
[ [ 4.60840644, 0, 0 ], [ 0, 5.87185648, 0 ], [ 0, 0, 4.60840644 ] ]
agm001537053
[ [ 0, 0, 0 ], [ 0, 0, 2.30420322 ], [ 2.30420322, 0, 0 ], [ 0, 2.93592824, 0 ], [ 2.30420322, 2.93592824, 2.30420322 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Si", "Rh", "Rh", "Ba", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 5.184996, 0, 0 ], [ 0, 4.983636, 0 ], [ 0, 0, 5.184996 ] ]
-23.9769
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.173202
pbe
true
9d54dd26b8a826879d5fd3775a43ded1_123_Ba1In1Si1Rh2
[ "Ba", "Ir", "N", "Sn" ]
7
A2B2C2D
Ba2Ir2NSn2
Ba2 Sn2 Ir2 N1
4
[ 1, 1, 1 ]
3
[ [ 4.48781528, 0, 0 ], [ 2.24390764, 6.81538916, -0.00572973 ], [ 2.24390764, 1.43339359, 6.0271058 ] ]
agm004554904
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Ba", "Ba", "Sn", "Sn", "Ir", "Ir", "N" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.2857142857142857, 0.14285714285714285, 0.2857142857142857 ]
[ [ -0.04004514, 0, 0 ], [ 0, -0.1038192, -0.0458144 ], [ 0, -0.0458146, 0.05392037 ] ]
-41.404704
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00281533, -0.00337317 ], [ 0, -0.00281533, 0.00337317 ], [ 0, -0.00293316, -0.00000323 ], [ 0, 0.00293316, 0.00000323 ], [ 0, -0.00178757, -0.00201389 ], [ 0, 0.00178757, 0.00201389 ], [ 0, 0, 0 ] ]
-0.000015
3.982911
pbe
true
5991c076f25a89f6446c5eec382afcb4_12_Ba2Sn2Ir2N1
[ "Ba", "Ir", "Na", "O" ]
12
A6B3C2D
Ba3IrNa2O6
Ba3 Na2 Ir1 O6
4
[ 1, 1, 1 ]
3
[ [ 6.10117989, 0, 0 ], [ -3.05058994, 5.28377677, 0 ], [ 0, 0, 6.74984 ] ]
agm004664564
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ba", "Ba", "Ba", "Na", "Na", "Ir", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.08333333333333333, 0.16666666666666666, 0.5 ]
[ [ 0.67062235, 0, 0 ], [ 0, 0.67062235, 0 ], [ 0, 0, 0.848197 ] ]
-67.472753
[ -0.003, -0.003, -0.008, -0.007, -0.007, 0.731, 0.065, 0.065, 0.065, 0.065, 0.065, 0.065 ]
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1.059954
4.962155
pbe
true
09ba5f05f5b632f2ec16c50e3498a7c8_164_Ba3Na2Ir1O6
[ "Ba", "K", "Rb", "Ti" ]
5
A2BCD
Ba2KRbTi
K1 Rb1 Ba2 Ti1
4
[ 1, 1, 1 ]
3
[ [ 6.67240124, 0, 0 ], [ 0, 7.2663345, 0 ], [ 0, 0, 6.67240124 ] ]
agm001475502
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "K", "Ba", "Ba", "Rb", "Ti" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 1.094881, 0, 0 ], [ 0, 0.37322935, 0 ], [ 0, 0, 1.094881 ] ]
-10.750341
[ 0.015, 0.186, 0.156, -0.006, 2.107 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.014732
3.377844
pbe
true
327e908c75b6922fa5352b7e46601080_123_K1Rb1Ba2Ti1
[ "Ba", "La", "Ru", "Tl" ]
5
A2BCD
BaLaRuTl2
Ba1 La1 Tl2 Ru1
4
[ 1, 1, 1 ]
3
[ [ 5.57801159, 0, 0 ], [ 0, 5.57801159, 0 ], [ 0, 0, 5.11530831 ] ]
agm001661883
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
[ "Ru", "Tl", "Tl", "Ba", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 2.9349005, 0, 0 ], [ 0, 2.9349005, 0 ], [ 0, 0, 2.9200046 ] ]
-21.911818
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
4.043159
pbe
true
8bfca20724e75ea9d76dc8b673a13b69_123_Ba1La1Tl2Ru1
[ "Ba", "La", "Pr", "Tl" ]
8
A4B2CD
BaLa2PrTl4
Ba1 La2 Pr1 Tl4
4
[ 1, 1, 1 ]
3
[ [ 5.71124201, 0, 0 ], [ 2.85562101, 4.94608067, 0 ], [ 2.855621, 1.64869356, 9.37584477 ] ]
agm004807457
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
[ "Ba", "La", "La", "Pr", "Tl", "Tl", "Tl", "Tl" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.125, 0.5 ]
[ [ 2.5096602, 0, 0 ], [ 0, 2.5096602, 0 ], [ 0, 0, 2.3611677 ] ]
-28.942382
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
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-0.000556
7.350832
pbe
true
5acd1e89e868a064bd2940257dd0b3a9_166_Ba1La2Pr1Tl4
[ "Ba", "Li", "Mg", "Tl" ]
7
A2B2C2D
BaLi2Mg2Tl2
Ba1 Li2 Mg2 Tl2
4
[ 1, 1, 1 ]
3
[ [ 4.96328684, 0, 0 ], [ 2.48164342, 4.29833249, 0 ], [ 2.48164342, 1.4327775, 9.09601019 ] ]
agm004552727
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[ "Ba", "Li", "Li", "Mg", "Mg", "Tl", "Tl" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.2857142857142857, 0.2857142857142857, 0.2857142857142857 ]
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-15.141514
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-0.00001
4.9868
pbe
true
9281a36af3b15db428674258aba1c97d_166_Ba1Li2Mg2Tl2
[ "Ba", "Li", "O", "Os" ]
16
A5BCD
BaLiO5Os
Ba2 Li2 Os2 O10
4
[ 1, 1, 1 ]
3
[ [ 5.90179262, -0.13612837, 0.08165697 ], [ -1.85301323, 5.60500036, 0.08165697 ], [ -1.58844809, -2.14558968, 6.91796663 ] ]
agm005065733
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Ba", "Ba", "Li", "Li", "Os", "Os", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.625, 0.125 ]
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-107.00946
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2.051357
5.099134
pbe
true
3d846b1b5cdc7bf08b2fc6f27a0e9ddf_15_Ba2Li2Os2O10
[ "Ba", "Li", "Sb", "U" ]
10
A6B2CD
Ba2LiSb6U
Ba2 Li1 U1 Sb6
4
[ 1, 1, 1 ]
3
[ [ 9.0428051, -0.00354296, 0.03734767 ], [ -0.07936475, 7.09166882, -1.23371642 ], [ 4.51850828, 2.73260051, 4.88468994 ] ]
agm004943786
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
[ "Ba", "Ba", "Li", "U", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.6, 0.1 ]
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-45.646036
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2.891473
5.432533
pbe
true
b67b60f11c74d279de21bf482d8a35f8_2_Ba2Li1U1Sb6
[ "Ba", "Mg", "Ni", "Sn" ]
4
ABCD
BaMgNiSn
Ba1 Mg1 Ni1 Sn1
4
[ 1, 1, 1 ]
3
[ [ 0, 3.705107, 3.705107 ], [ 3.705107, 0, 3.705107 ], [ 3.705107, 3.705107, 0 ] ]
oqmd-2915994
[ [ 0, 0, 0 ], [ 5.55766, 5.557659999999997, 5.55766 ], [ 3.7051100000000026, 3.7051100000000026, 3.7051100000000026 ], [ 1.852550000000002, 1.852550000000002, 1.852550000000002 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Ba", "Mg", "Ni", "Sn" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -4.49022, 0, 0 ], [ 0, -4.49022, 0 ], [ 0, 0, -4.49022 ] ]
-12.6064
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.021907
null
pbe
true
15295743e895585c972432b46c44d84a_216_Ba1Mg1Ni1Sn1
[ "Ba", "Mn", "O", "Pr" ]
20
A12B4C3D
Ba4Mn3O12Pr
Ba4 Pr1 Mn3 O12
4
[ 1, 1, 1 ]
3
[ [ 10.12091186, -2.95696814, -0.00096802 ], [ 10.12091186, 2.95696814, -0.00096802 ], [ 9.25747447, 0, 5.04734433 ] ]
agm005219250
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Ba", "Ba", "Ba", "Pr", "Mn", "Mn", "Mn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.15, 0.6, 0.05 ]
[ [ 0.7792987, 0, 0.01348122 ], [ 0, 0.70047724, 0 ], [ 0.01348122, 0, 0.70278305 ] ]
-138.349873
[ 0.005, 0.006, 0.005, 0.006, -0.002, 3.063, 3.063, 3.09, -0.076, -0.076, -0.086, -0.086, -0.076, -0.086, -0.076, -0.086, -0.086, -0.076, -0.076, -0.086 ]
[ [ 0.00038332, 0, 0.00006556 ], [ -0.00224417, 0, -0.00038383 ], [ -0.00038332, 0, -0.00006556 ], [ 0.00224417, 0, 0.00038383 ], [ 0, 0, 0 ], [ 0.00134266, 0, 0.00022964 ], [ -0.00134266, 0, -0.00022964 ], [ 0, 0, 0 ], [ 0.00039503, -0.00258439, -0.0014462 ], [ -0.00039503, -0.00258439, 0.0014462 ], [ 0.00248892, 0, 0.00126487 ], [ 0.00269809, 0.00071635, 0.00004188 ], [ 0.00039503, 0.00258439, -0.0014462 ], [ -0.00269809, 0.00071635, -0.00004188 ], [ 0.00035962, 0, -0.00296602 ], [ 0.00269809, -0.00071635, 0.00004188 ], [ -0.00269809, -0.00071635, -0.00004188 ], [ -0.00035962, 0, 0.00296602 ], [ -0.00039503, 0.00258439, 0.0014462 ], [ -0.00248892, 0, -0.00126487 ] ]
8.379259
19.540907
pbe
true
cfe6f6e8d381330c6d51d8ce876e0e77_166_Ba4Pr1Mn3O12
[ "Ba", "N", "Os", "Sm" ]
11
A6B2C2D
Ba2N6Os2Sm
Ba2 Sm1 Os2 N6
4
[ 1, 1, 1 ]
3
[ [ 6.13018564, 0, 0 ], [ 3.06509282, 5.3088965, 0 ], [ 3.06509282, 1.76963216, 6.32450284 ] ]
agm004574399
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Ba", "Ba", "Sm", "Os", "Os", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.5454545454545454, 0.18181818181818182, 0.09090909090909091 ]
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-85.806672
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0.000081
4.574003
pbe
true
37ffb5a02dadab49146ae3855ec8246d_166_Ba2Sm1Os2N6
[ "Ba", "N", "Pa", "Tc" ]
16
A8B4C3D
Ba4N8Pa3Tc
Ba4 Pa3 Tc1 N8
4
[ 1, 1, 1 ]
3
[ [ 7.12215726, 0, 0 ], [ 0, 7.57202029, 0.3036162 ], [ -3.56107863, -3.5509696, 5.04341858 ] ]
agm004737096
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"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": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Ba", "Ba", "Ba", "Ba", "Pa", "Pa", "Pa", "Tc", "N", "N", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.1875, 0.0625 ]
[ [ 0.5919188, 0, 0 ], [ 0, 0.6600992, -0.06080745 ], [ 0, -0.06080669, 0.4799975 ] ]
-128.418021
[ -0.06, -0.044, -0.044, -0.044, 0.01, 0.01, 0.01, 1.164, 0.027, 0.027, 0.004, 0.027, 0.027, 0.004, 0.027, 0.027 ]
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1.059584
5.647637
pbe
true
f43cfe0a0e3a523b3e99d18e121fbc4c_166_Ba4Pa3Tc1N8
[ "Ba", "O", "Pa", "Pb" ]
10
A6B2CD
Ba2O6PaPb
Ba2 Pa1 Pb1 O6
4
[ 1, 1, 1 ]
3
[ [ 4.47632142, 0, 0 ], [ 0, 4.47632142, 0 ], [ 0, 0, 9.02290271 ] ]
agm004924317
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]
[ "Ba", "Ba", "Pa", "Pb", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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BaO8RuTm2
Ba1 Tm2 Ru1 O8
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2023-11-16 06:57:59
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db846fbe8f0aeaf5fd999980272a8436_2_Ba1Tm2Ru1O8
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A9B3C2D
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Ba3 Sm1 V2 O9
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2023-11-16 06:57:59
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Ba2O6SnZr
Ba2 Zr1 Sn1 O6
4
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[ "Ba", "Ba", "Zr", "Sn", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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a8ded4a0c85a2a9da3a3e30f2673ab89_225_Ba2Zr1Sn1O6
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A6B2CD
Ba2OsSe6Zn
Ba2 Os1 Se6 Zn1
4
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oqmd-9952465
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[ "Ba", "Ba", "Os", "Se", "Se", "Se", "Se", "Se", "Se", "Zn" ]
2024-11-01 00:00:00
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c3cca12474e844e3e85ff9a1d81f9b76_12_Ba2Zn1Os1Se6
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A8B2CD
BaP2PbSe8
Ba1 P2 Pb1 Se8
4
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3
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[ "Ba", "P", "P", "Pb", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
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pbe
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a89691bceb5de1a8785e9a2d476877a5_147_Ba1P2Pb1Se8
[ "Ba", "Pb", "Pd", "Rh" ]
11
A4B3C2D2
Ba3Pb4Pd2Rh2
Ba3 Pd2 Rh2 Pb4
4
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[ "Ba", "Ba", "Ba", "Pd", "Pd", "Rh", "Rh", "Pb", "Pb", "Pb", "Pb" ]
2023-11-16 06:57:59
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59495b25a40dbfc56fe6b0ac0f0b08c2_164_Ba3Pd2Rh2Pb4
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5
A2BCD
BaSbSnTc2
Ba1 Tc2 Sn1 Sb1
4
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[ "Tc", "Tc", "Sb", "Ba", "Sn" ]
2023-11-16 06:57:59
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