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[ "Bi", "Hg", "I", "Sb" ]
5
A2BCD
BiHgI2Sb
Hg1 Bi1 Sb1 I2
4
[ 1, 1, 1 ]
3
[ [ 6.23977898, 0, 0 ], [ 0, 6.23977898, 0 ], [ 0, 0, 6.12858268 ] ]
agm001711344
[ [ 0, 3.11988949, 0 ], [ 3.11988949, 0, 0 ], [ 0, 0, 3.06429134 ], [ 0, 0, 0 ], [ 3.11988949, 3.11988949, 3.06429134 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "I", "Sb", "Bi", "Hg" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.4624286, 0, 0 ], [ 0, 0.4624286, 0 ], [ 0, 0, 0.5365645 ] ]
-10.449548
[ 0.056, 0.056, 0.644, -0.087, 0.029 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.775061
0.943057
pbe
true
7938250c9a98751acc23e1736d5dad8a_123_Hg1Bi1Sb1I2
[ "Bi", "Hg", "Os", "V" ]
5
A2BCD
BiHgOsV2
V2 Hg1 Bi1 Os1
4
[ 1, 1, 1 ]
3
[ [ 4.87767292, 0, 0 ], [ 0, 5.14794469, 0 ], [ 0, 0, 4.87767292 ] ]
agm001529675
[ [ 0, 0, 2.43883646 ], [ 2.43883646, 0, 0 ], [ 0, 0, 0 ], [ 0, 2.573972345, 0 ], [ 2.43883646, 2.573972345, 2.43883646 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "V", "V", "Os", "Bi", "Hg" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 4.0871854, 0, 0 ], [ 0, 3.1533954, 0 ], [ 0, 0, 4.0871854 ] ]
-28.77812
[ 1.892, 2.662, -0.305, -0.088, -0.01 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.034628
4.57017
pbe
true
902456eb08070c9ff3b93d87f577c36c_123_V2Hg1Bi1Os1
[ "Bi", "I", "O", "Rb" ]
5
A2BCD
BiI2ORb
Rb1 Bi1 I2 O1
4
[ 1, 1, 1 ]
3
[ [ 6.46058811, 0, 0 ], [ 0, 6.46058811, 0 ], [ 0, 0, 4.41503831 ] ]
agm001708695
[ [ 0, 3.230294055, 0 ], [ 3.230294055, 0, 0 ], [ 0, 0, 2.207519155 ], [ 0, 0, 0 ], [ 3.230294055, 3.230294055, 2.207519155 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "I", "O", "Bi", "Rb" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.2287468, 0, 0 ], [ 0, 0.2287468, 0 ], [ 0, 0, 0.16606481 ] ]
-17.408228
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0.47628
pbe
true
78dfc9434e907436642ac010a2b34273_123_Rb1Bi1I2O1
[ "Bi", "In", "Ir", "Pm" ]
4
ABCD
BiInIrPm
Pm1 In1 Bi1 Ir1
4
[ 1, 1, 1 ]
3
[ [ 5.12644395, 0, 0 ], [ 2.56322197, 4.43963069, 0 ], [ 2.56322197, 1.4798769, 4.18572395 ] ]
agm001385408
[ [ 5.126443945, 2.959753795, 2.092861975 ], [ 0, 0, 0 ], [ 7.689665917499999, 4.4396306925, 3.1392929625 ], [ 2.5632219725, 1.4798768975, 1.0464309875 ] ]
[{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ir", "In", "Bi", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.4047058, 0, 0 ], [ 0, 2.4047058, 0 ], [ 0, 0, 2.4047058 ] ]
-21.047292
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000002
0.431962
pbe
true
278ba86dd630a67c5898e09af20d77e3_216_Pm1In1Bi1Ir1
[ "Bi", "In", "Sn", "Sr" ]
4
ABCD
BiInSnSr
Sr1 In1 Sn1 Bi1
4
[ 1, 1, 1 ]
3
[ [ 5.65092021, 0, 0 ], [ 2.82546011, 4.89384046, 0 ], [ 2.82546011, 1.63128015, 4.61395703 ] ]
agm001338083
[ [ 8.476380322499999, 4.8938404575, 3.4604677725 ], [ 5.650920215, 3.262560305, 2.306978515 ], [ 0, 0, 0 ], [ 2.8254601075, 1.6312801525, 1.1534892575 ] ]
[{"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": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "In", "Bi", "Sn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.1861422, 0, 0 ], [ 0, 2.1861422, 0 ], [ 0, 0, 2.1861422 ] ]
-13.272419
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000018
3.738612
pbe
true
5a10ca55d49eddf157861b63060c2b8b_216_Sr1In1Sn1Bi1
[ "Bi", "K", "Mg", "Rb" ]
5
A2BCD
BiK2MgRb
K2 Rb1 Mg1 Bi1
4
[ 1, 1, 1 ]
3
[ [ 7.01522425, 0, 0 ], [ 0, 7.01522425, 0 ], [ 0, 0, 5.7987829 ] ]
agm001638967
[ [ 0, 0, 2.89939145 ], [ 0, 3.507612125, 0 ], [ 3.507612125, 0, 0 ], [ 0, 0, 0 ], [ 3.507612125, 3.507612125, 2.89939145 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"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": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Mg", "K", "K", "Bi", "Rb" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.4726072, 0, 0 ], [ 0, 0.4726072, 0 ], [ 0, 0, 0.39461258 ] ]
-9.014383
[ 0.003, 0.005, 0.005, 0.028, 0.012 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.323277
3.704749
pbe
true
28215e8f3d6b7fe4c1a808d1a8ee8dde_123_K2Rb1Mg1Bi1
[ "Bi", "Li", "N", "Te" ]
5
A2BCD
BiLiN2Te
Li1 Bi1 Te1 N2
4
[ 1, 1, 1 ]
3
[ [ 4.47093863, 0, 0 ], [ 0, 4.47093863, 0 ], [ 0, 0, 6.20430732 ] ]
agm001738328
[ [ 0, 0, 3.10215366 ], [ 2.235469315, 2.235469315, 3.10215366 ], [ 0, 0, 0 ], [ 0, 2.235469315, 0 ], [ 2.235469315, 0, 0 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"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", "Li", "Bi", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.38640696, 0, 0 ], [ 0, 0.38640696, 0 ], [ 0, 0, 0.34146094 ] ]
-19.577051
[ 0.21, 0.001, -0.073, 0.874, 0.874 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.879803
3.615863
pbe
true
e7887df3b2c124795b58b8732d7ef4e7_123_Li1Bi1Te1N2
[ "Bi", "Li", "Nd", "Pr" ]
4
ABCD
BiLiNdPr
Li1 Pr1 Nd1 Bi1
4
[ 1, 1, 1 ]
3
[ [ 5.47345718, 0, 0 ], [ 2.73672859, 4.74015296, 0 ], [ 2.73672859, 1.58005099, 4.46905907 ] ]
agm001382950
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "Pr", "Nd", "Bi", "Li" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.29749018, 0, 0 ], [ 0, 0.29749018, 0 ], [ 0, 0, 0.29749018 ] ]
-16.92565
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000008
3.403745
pbe
true
f18d3eb4e4dd7c456778b02b0c381f4b_216_Li1Pr1Nd1Bi1
[ "Bi", "Mg", "O", "Pb" ]
20
A6B2CD
BiMgO6Pb2
Mg2 Bi2 Pb4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.76755939, 0, -0.00104269 ], [ 0, 5.93162101, 0 ], [ 0.05019126, 0, 8.23664199 ] ]
agm004968896
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[{"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": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Mg", "Bi", "Bi", "Pb", "Pb", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.2 ]
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-109.945373
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0.000097
12.817384
pbe
true
76e1cd4221d5e2c9a73334fc313334ae_14_Mg2Bi2Pb4O12
[ "Bi", "Mn", "O", "Sc" ]
20
A6B2CD
Bi2MnO6Sc
Sc2 Mn2 Bi4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.67154793, -0.00117399, -0.00380904 ], [ 2.64860495, 5.01511207, -0.00380904 ], [ 2.58479701, 1.55766515, 9.45265599 ] ]
agm003274908
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Sc", "Mn", "Mn", "Bi", "Bi", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.6, 0.1 ]
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-139.909156
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7.998677
-0.000018
pbe
true
155a301bf7c53b4c0a745dc67c5f11d2_15_Sc2Mn2Bi4O12
[ "Bi", "Mo", "Os", "Rh" ]
5
A2BCD
BiMo2OsRh
Bi1 Mo2 Os1 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.98080775, 0, 0 ], [ 0, 4.75968461, 0 ], [ 0, 0, 4.98080775 ] ]
agm001470342
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[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Rh", "Mo", "Mo", "Os", "Bi" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-30.36442
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2.216578
4.91544
pbe
true
63e5c34d7348fa04a7bb729b86569942_123_Bi1Mo2Os1Rh1
[ "Bi", "N", "Pa", "Pm" ]
5
A2BCD
BiN2PaPm
Pm1 Pa1 Bi1 N2
4
[ 1, 1, 1 ]
3
[ [ 3.9909571, 0, 0 ], [ 0, 3.9909571, 0 ], [ -1.99547855, -1.99547855, 6.86843519 ] ]
agm005015671
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[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Pm", "Pa", "Bi", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.28416327, 0, 0 ], [ 0, 0.28416327, 0 ], [ 0, 0, 0.31986964 ] ]
-41.765576
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[ [ 0, 0, -0.00294194 ], [ 0, 0, 0.00297805 ], [ 0, 0, 0.00458749 ], [ 0, 0, -0.0023118 ], [ 0, 0, -0.0023118 ] ]
0.000002
2.248791
pbe
true
fedf2be4a8e43be69500398768573a21_107_Pm1Pa1Bi1N2
[ "Bi", "Nd", "Pm", "Tl" ]
4
ABCD
BiNdPmTl
Pm1 Nd1 Tl1 Bi1
4
[ 1, 1, 1 ]
3
[ [ 5.56843482, 0, 0 ], [ 2.78421741, 4.82240601, 0 ], [ 2.78421741, 1.60746867, 4.54660799 ] ]
agm001393907
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Tl", "Nd", "Bi", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.2269539, 0, 0 ], [ 0, 1.2269539, 0 ], [ 0, 0, 1.2269539 ] ]
-17.66733
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000916
4.881168
pbe
true
45e2cd63b8c753b1713cb8298bef0899_216_Pm1Nd1Tl1Bi1
[ "Bi", "Nd", "Sm", "Tb" ]
12
A6B3C2D
Bi6Nd3Sm2Tb
Tb1 Nd3 Sm2 Bi6
4
[ 1, 1, 1 ]
3
[ [ 4.57493104, 0, 0 ], [ 0, 9.13881876, 0.33096542 ], [ -2.28746552, -2.62569248, 9.61204336 ] ]
agm004622269
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Tb", "Nd", "Nd", "Nd", "Sm", "Sm", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.16666666666666666, 0.08333333333333333 ]
[ [ 0.4413793, 0, 0 ], [ 0, 0.42295277, 0.00204811 ], [ 0, 0.00204808, 0.31161505 ] ]
-62.808488
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00244407, 0.00022596 ], [ 0, 0.00244407, -0.00022596 ], [ 0, -0.00098557, -0.00120051 ], [ 0, 0.00098557, 0.00120051 ], [ 0, -0.00140725, -0.00204478 ], [ 0, 0.00152752, -0.0011946 ], [ 0, 0.00140725, 0.00204478 ], [ 0, 0.00186622, 0.00202384 ], [ 0, -0.00186622, -0.00202384 ], [ 0, -0.00152752, 0.0011946 ] ]
0
2.026485
pbe
true
4a81588433bd5c491f5a9dabe7cfdf57_12_Tb1Nd3Sm2Bi6
[ "Br", "C", "Co", "V" ]
5
A2BCD
BrCCo2V
V1 Co2 C1 Br1
4
[ 1, 1, 1 ]
3
[ [ 4.28378625, 0, 0 ], [ 0, 4.6195328, 0 ], [ 0, 0, 4.28378625 ] ]
agm001504214
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "C", "Co", "Co", "Br", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.7117604, 0, 0 ], [ 0, 0.38804618, 0 ], [ 0, 0, 0.7117604 ] ]
-22.973515
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000434
6.346942
pbe
true
268b02135d7febec3bd8385af35d6e0d_123_V1Co2C1Br1
[ "Br", "C", "F", "O" ]
5
A2BCD
BrCFO2
C1 Br1 O2 F1
4
[ 1, 1, 1 ]
3
[ [ 3.73646469, 0, 0 ], [ 0, 3.73646469, 0 ], [ 0, 0, 3.59207977 ] ]
agm001740897
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "C", "O", "O", "Br", "F" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 2.2897441, 0, 0 ], [ 0, 2.2897441, 0 ], [ 0, 0, 1.5955737 ] ]
-16.688244
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.361566
pbe
true
23450e0d0072b29a90bf073b428a7b1e_123_C1Br1O2F1
[ "Br", "Cl", "Hg", "Rb" ]
7
A3B2CD
Br3ClHgRb2
Rb2 Hg1 Br3 Cl1
4
[ 1, 1, 1 ]
3
[ [ 5.52748576, 0, 0 ], [ 0, 5.6491481, 0 ], [ -2.76374288, -2.82457405, 8.50724652 ] ]
agm004759906
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Hg", "Br", "Br", "Br", "Cl" ]
2023-11-16 06:57:59
[ 0.42857142857142855, 0.14285714285714285, 0.14285714285714285, 0.2857142857142857 ]
[ [ 0.71067166, 0, 0 ], [ 0, 0.7159432, 0 ], [ 0, 0, 0.7209208 ] ]
-17.702368
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00172814 ], [ 0, 0, 0.00172814 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00106106 ], [ 0, 0, -0.00106106 ], [ 0, 0, 0 ] ]
-0.000002
-0.000593
pbe
true
b9cc5398c833ae329b6737fe5ebb0a6e_71_Rb2Hg1Br3Cl1
[ "Br", "Cl", "Ga", "S" ]
7
A2B2C2D
Br2Cl2GaS2
Ga1 S2 Br2 Cl2
4
[ 1, 1, 1 ]
3
[ [ 3.77318907, 0, 0 ], [ 1.88659453, 7.51200122, -1.03110025 ], [ 1.88659453, 0.65807149, 6.87580251 ] ]
agm004555041
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "S", "S", "Br", "Br", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.2857142857142857, 0.14285714285714285, 0.2857142857142857 ]
[ [ 0.37608084, 0, 0 ], [ 0, 0.3701116, -0.00480153 ], [ 0, -0.00480139, 0.33235952 ] ]
-20.712191
[ 0.005, 0.28, 0.28, 0.011, 0.011, 0.041, 0.041 ]
[ [ 0, 0, 0 ], [ 0, 0.00860918, 0.00096907 ], [ 0, -0.00860918, -0.00096907 ], [ 0, -0.00067071, 0.00399967 ], [ 0, 0.00067071, -0.00399967 ], [ 0, -0.0016897, -0.00273915 ], [ 0, 0.0016897, 0.00273915 ] ]
1.022496
4.047548
pbe
true
689fd4df2f4df004072dd394eaa11d31_12_Ga1S2Br2Cl2
[ "Br", "Cl", "I", "Tl" ]
12
A6B3C2D
BrCl2I3Tl6
Tl6 I3 Br1 Cl2
4
[ 1, 1, 1 ]
3
[ [ 8.37103357, -0.00611117, -0.00143345 ], [ -4.18877262, 7.24764957, -0.00143345 ], [ -1.39656935, -2.41814433, 7.89347831 ] ]
agm004597536
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
[ "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "I", "I", "I", "Br", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.16666666666666666, 0.25, 0.5 ]
[ [ 1.918635, 0.0212817, 0.00527011 ], [ 0.0212817, 1.9431931, 0.00912514 ], [ 0.00527016, 0.00912522, 2.012575 ] ]
-33.911403
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[ [ -0.00178316, 0.00076391, 0.00122444 ], [ -0.00115629, -0.0020021, -0.00409415 ], [ 0.00178316, -0.00076391, -0.00122444 ], [ 0.00155282, -0.00116274, 0.00122444 ], [ 0.00115629, 0.0020021, 0.00409415 ], [ -0.00155282, 0.00116274, -0.00122444 ], [ -0.00413661, 0.00238905, 0 ], [ 0.00413661, -0.00238905, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00095251, -0.00055011, 0 ], [ -0.00095251, 0.00055011, 0 ] ]
-0
0
pbe
true
29102d94255fc9cc08045d55f8152082_12_Tl6I3Br1Cl2
[ "Br", "Cl", "Hg", "Tl" ]
7
A2B2C2D
Br2Cl2HgTl2
Tl2 Hg1 Br2 Cl2
4
[ 1, 1, 1 ]
3
[ [ 4.27436656, 0, 0 ], [ 2.13718328, 7.9566354, 0.55389555 ], [ 2.13718328, 3.56602507, 7.06574049 ] ]
agm004541149
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
[ "Tl", "Tl", "Hg", "Br", "Br", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.2857142857142857, 0.14285714285714285, 0.2857142857142857 ]
[ [ 2.089645, 0, 0 ], [ 0, 2.0432036, 0.00125548 ], [ 0, 0.00125559, 2.1606977 ] ]
-17.267746
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00244543, -0.0019274 ], [ 0, 0.00244543, 0.0019274 ], [ 0, 0, 0 ], [ 0, 0.00408728, 0.0019058 ], [ 0, -0.00408728, -0.0019058 ], [ 0, 0.00177966, 0.00239056 ], [ 0, -0.00177966, -0.00239056 ] ]
0.000001
0
pbe
true
d24b232d230e313adc4878a9dece795d_12_Tl2Hg1Br2Cl2
[ "Br", "Co", "Pb", "Rb" ]
10
A6B2CD
Br6CoPbRb2
Rb2 Co1 Pb1 Br6
4
[ 1, 1, 1 ]
3
[ [ 7.87328685, 0, 0 ], [ 0, 7.87328685, 0 ], [ 3.93664342, 3.93664342, 5.57374423 ] ]
agm004481630
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Pb", "Co", "Br", "Br", "Br", "Br", "Br", "Br", "Rb", "Rb" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.1, 0.2 ]
[ [ 1.1441245, 0, 0 ], [ 0, 1.1441245, 0 ], [ 0, 0, 1.099285 ] ]
-32.89793
[ 0.065, 2.377, 0.058, 0.058, 0.058, 0.058, 0.058, 0.058, 0, 0 ]
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2.978923
28.799463
pbe
true
5bc577675428ee85508892a3586816c3_225_Rb2Co1Pb1Br6
[ "Br", "Co", "N", "O" ]
28
A7B3C2D2
Br3Co2N7O2
Br6 Co4 N14 O4
4
[ 1, 1, 1 ]
3
[ [ 5.64258668, 0, 0 ], [ 0, 8.51554376, 0 ], [ 0, 0, 11.92871276 ] ]
mp-1194559
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Co", "Co", "Co", "Co", "Br", "Br", "Br", "Br", "Br", "Br", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "O", "O", "O", "O" ]
2019-01-12 00:06:51
[ 0.21428571428571427, 0.14285714285714285, 0.5, 0.14285714285714285 ]
[ [ -0.31339468, 0, 0 ], [ 0, 0.34390981, 0 ], [ 0, 0, 1.37707212 ] ]
-136.539667
[ 0.089, 0.089, 0.107, 0.107, 0.069, 0.069, 0.095, 0.095, 0.034, 0.034, 0.395, 0.395, 0.161, 0.161, -0.053, -0.053, 0.001, 0.001, 0.001, 0.001, 0.287, 0.287, 0.287, 0.287, 0.006, 0.006, 0.006, 0.006 ]
[ [ 0, -0.01282967, 0.03088548 ], [ 0, 0.01282967, 0.03088548 ], [ 0, 0.04512331, -0.0141171 ], [ 0, -0.04512331, -0.0141171 ], [ 0, 0.02872747, 0.04100777 ], [ 0, -0.02872747, 0.04100777 ], [ 0, 0.05528383, -0.01474661 ], [ 0, -0.05528383, -0.01474661 ], [ 0, -0.03282965, 0.00433225 ], [ 0, 0.03282965, 0.00433225 ], [ 0, -0.0348912, 0.03671061 ], [ 0, 0.0348912, 0.03671061 ], [ 0, 0.02825681, 0.01828915 ], [ 0, -0.02825681, 0.01828915 ], [ 0, -0.0205998, -0.01529066 ], [ 0, 0.0205998, -0.01529066 ], [ 0.00655962, 0.0528461, -0.07587776 ], [ -0.00655962, 0.0528461, -0.07587776 ], [ -0.00655962, -0.0528461, -0.07587776 ], [ 0.00655962, -0.0528461, -0.07587776 ], [ -0.02103094, 0.04688327, 0.02308384 ], [ 0.02103094, 0.04688327, 0.02308384 ], [ 0.02103094, -0.04688327, 0.02308384 ], [ -0.02103094, -0.04688327, 0.02308384 ], [ 0.00521178, 0.00484398, 0.00925847 ], [ -0.00521178, 0.00484398, 0.00925847 ], [ -0.00521178, -0.00484398, 0.00925847 ], [ 0.00521178, -0.00484398, 0.00925847 ] ]
2.97
-0.325862
pbe
true
bc0078545303a82743b4595fb4f4059e_31_Co4Br6N14O4
[ "Br", "Co", "Rb", "Se" ]
10
A6B2CD
Br6CoRb2Se
Rb2 Co1 Se1 Br6
4
[ 1, 1, 1 ]
3
[ [ 7.72036211, 0, 0 ], [ 0, 7.72036211, 0 ], [ 3.86018105, 3.86018105, 5.32935249 ] ]
agm004481639
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Co", "Se", "Br", "Br", "Br", "Br", "Br", "Br", "Rb", "Rb" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.2, 0.1 ]
[ [ 0.28860292, 0, 0 ], [ 0, 0.28860292, 0 ], [ 0, 0, 0.20931824 ] ]
-29.768171
[ 1.716, -0.373, 0.019, 0.019, -0.022, -0.022, -0.022, -0.022, 0, 0 ]
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1.149921
12.440013
pbe
true
1873c96bdb432a7de953c76c47a60f1d_139_Rb2Co1Se1Br6
[ "Br", "Cs", "K", "Pm" ]
20
A6B2CD
Br6CsK2Pm
Cs2 K4 Pm2 Br12
4
[ 1, 1, 1 ]
3
[ [ 8.13592464, 0, -0.13187657 ], [ 0, 8.64462457, 0 ], [ -0.12030109, 0, 11.97770298 ] ]
agm004956294
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"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", "K", "K", "K", "K", "Pm", "Pm", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.2, 0.1 ]
[ [ 0.48658326, 0, -0.00918538 ], [ 0, 0.51697683, 0 ], [ -0.00918535, 0, 0.5137404 ] ]
-72.241299
[ 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 ], [ -0.00081747, -0.00088873, -0.00068711 ], [ -0.00081747, 0.00088873, -0.00068711 ], [ 0.00081747, 0.00088873, 0.00068711 ], [ 0.00081747, -0.00088873, 0.00068711 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0016204, -0.00327886, -0.00149382 ], [ 0.0016204, 0.00327886, -0.00149382 ], [ -0.0016204, 0.00327886, 0.00149382 ], [ -0.0016204, -0.00327886, 0.00149382 ], [ 0.00434988, -0.00152246, 0.00177771 ], [ 0.00434988, 0.00152246, 0.00177771 ], [ -0.00434988, 0.00152246, -0.00177771 ], [ -0.00434988, -0.00152246, -0.00177771 ], [ 0.00165741, -0.00101476, -0.00156587 ], [ 0.00165741, 0.00101476, -0.00156587 ], [ -0.00165741, 0.00101476, 0.00156587 ], [ -0.00165741, -0.00101476, 0.00156587 ] ]
-0.000003
0
pbe
true
33f4234099743044310be4fce352dc03_14_Cs2K4Pm2Br12
[ "Br", "Cu", "Rb", "Y" ]
11
A6B2C2D
Br6Cu2Rb2Y
Rb2 Y1 Cu2 Br6
4
[ 1, 1, 1 ]
3
[ [ 7.83759987, 0, 0 ], [ -3.91879993, 6.63803227, -0.35574335 ], [ 0, -4.17230287, 7.54949157 ] ]
agm004577396
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[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Rb", "Rb", "Y", "Cu", "Cu", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.5454545454545454, 0.18181818181818182, 0.18181818181818182, 0.09090909090909091 ]
[ [ -0.70079416, 0, 0 ], [ 0, -0.6933129, -0.07568498 ], [ 0, -0.07568513, -0.5243788 ] ]
-39.550794
[ 0.001, 0.001, 0.069, 0.09, 0.09, 0.019, 0.023, 0.023, 0.023, 0.023, 0.019 ]
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0.87288
2.306957
pbe
true
ad919503ea9f45cf7900a93a6a051a8b_12_Rb2Y1Cu2Br6
[ "Br", "F", "Li", "Si" ]
4
ABCD
BrFLiSi
Li1 Si1 Br1 F1
4
[ 1, 1, 1 ]
3
[ [ 3.37195162, -0.00920963, -0.0013777 ], [ 0.01514786, 4.74445438, -0.03970824 ], [ 0.01778397, 1.88908989, 5.36024884 ] ]
agm002093310
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Li", "Si", "Br", "F" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.5642663, -0.01209797, -0.0094845 ], [ -0.01209801, 0.40616843, -0.04175043 ], [ -0.00948447, -0.04175041, 0.6155878 ] ]
-15.763108
[ 0, 0, 0, 0 ]
[ [ 0.00074968, -0.00189823, 0.00088041 ], [ -0.00118918, -0.00297015, 0.0027838 ], [ -0.00057468, 0.00152562, -0.0007442 ], [ 0.00101418, 0.00334276, -0.00292002 ] ]
-0.000002
0.8652
pbe
true
26e822ae0d71d23b756f5fa91ca1a84e_6_Li1Si1Br1F1
[ "Br", "Hf", "Ru", "Se" ]
5
A2BCD
BrHfRuSe2
Hf1 Ru1 Se2 Br1
4
[ 1, 1, 1 ]
3
[ [ 4.85558338, 0, 0 ], [ 0, 4.85558338, 0 ], [ 0, 0, 4.83576559 ] ]
agm001792933
[ [ 0, 0, 0 ], [ 2.42779169, 2.42779169, 2.417882795 ], [ 0, 2.42779169, 0 ], [ 2.42779169, 0, 0 ], [ 0, 0, 2.417882795 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Ru", "Hf", "Se", "Se", "Br" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 2.304422, 0, 0 ], [ 0, 2.304422, 0 ], [ 0, 0, 2.283558 ] ]
-25.725768
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000303
5.371487
pbe
true
ec2a251a41ac9f3d677823aa4d957e09_123_Hf1Ru1Se2Br1
[ "Br", "In", "K", "Np" ]
20
A6B2CD
Br6InK2Np
K4 Np2 In2 Br12
4
[ 1, 1, 1 ]
3
[ [ 7.86979476, 0, 0.05402558 ], [ 0, 8.5381901, 0 ], [ 0.14930246, 0, 11.45587883 ] ]
agm004956258
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[{"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": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]
[ "K", "K", "K", "K", "Np", "Np", "In", "In", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.2, 0.1 ]
[ [ 1.3222195, 0, -0.03711184 ], [ 0, 1.2245084, 0 ], [ -0.03711159, 0, 1.2285239 ] ]
-83.375198
[ 0, 0, 0, 0, 3.975, 3.975, 0, 0, -0.015, -0.015, -0.015, -0.015, -0.015, -0.015, -0.015, -0.015, -0.015, -0.015, -0.015, -0.015 ]
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8.000001
10.150204
pbe
true
41b3ba7575f5f9732e07f1749563432b_14_K4Np2In2Br12
[ "Br", "In", "Na", "Pr" ]
10
A6B2CD
Br6InNa2Pr
Na2 Pr1 In1 Br6
4
[ 1, 1, 1 ]
3
[ [ 7.69083625, 0.00195508, 0.0027347 ], [ 3.8470938, 6.6586813, 0.00111044 ], [ 3.84788648, 2.22022485, 6.98709542 ] ]
agm004955915
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[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "Na", "Na", "Pr", "In", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.2, 0.1 ]
[ [ 0.6314321, -0.01597801, -0.03551484 ], [ -0.01597797, 0.68362474, 0.01083245 ], [ -0.03551473, 0.01083243, 0.67324305 ] ]
-35.220623
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00024978, -0.00004474, -0.00058998 ], [ -0.0003148, 0.00022817, -0.00311227 ], [ 0.00126792, -0.00174053, 0.00421138 ], [ 0.00071067, 0.00032412, -0.00463021 ], [ -0.00093968, -0.00057626, 0.00023463 ], [ 0.00034872, 0.00047839, 0.00162335 ], [ -0.00088825, 0.00086959, 0.00178416 ], [ 0.00225306, -0.0001404, 0.0004205 ], [ -0.00221817, -0.00105029, -0.00034389 ], [ 0.00003032, 0.00165194, 0.00040232 ] ]
0.000002
0
pbe
true
30d12574b3e7f84830b778df97c8f366_146_Na2Pr1In1Br6
[ "Br", "La", "P", "Si" ]
16
A8B4C3D
Br4La8PSi3
La8 Si3 P1 Br4
4
[ 1, 1, 1 ]
3
[ [ 8.66980486, -2.3e-7, -0.00004244 ], [ -8.8e-7, 8.98212695, 0.21622314 ], [ -4.33493236, -4.33154096, 6.13223388 ] ]
agm004714490
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "La", "La", "La", "La", "La", "La", "La", "La", "Si", "Si", "Si", "P", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.0625, 0.1875 ]
[ [ 0.52496326, 2.4e-7, -0.00000495 ], [ 2.4e-7, 0.4533013, -0.05058973 ], [ -0.00000495, -0.05058973, 0.48913977 ] ]
-88.031402
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.0004752, 0.00116956, 0.00049017 ], [ -1e-8, 0.00069473, 0.0011624 ], [ 1e-8, -0.00269789, -0.00190546 ], [ -0.00047521, 0.00116956, 0.00049017 ], [ 0.00047521, -0.00116956, -0.00049017 ], [ -1e-8, 0.00269789, 0.00190546 ], [ 1e-8, -0.00069473, -0.0011624 ], [ -0.0004752, -0.00116956, -0.00049017 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000063
8.698694
pbe
true
0def5aaaf1e2e0ebd893f1dc0696c125_166_La8Si3P1Br4
[ "Br", "Li", "Np", "Tl" ]
18
A6BCD
Br6LiNpTl
Li2 Np2 Tl2 Br12
4
[ 1, 1, 1 ]
3
[ [ 7.19047962, 0, 0 ], [ -3.59523981, 6.22713802, 0 ], [ 0, 0, 14.63392724 ] ]
agm005070313
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"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"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]
[ "Li", "Li", "Np", "Np", "Tl", "Tl", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.1111111111111111, 0.1111111111111111, 0.1111111111111111 ]
[ [ 1.1488225, 0, 0 ], [ 0, 1.1488225, 0 ], [ 0, 0, 1.1650329 ] ]
-76.769297
[ 0.001, 0.001, 3.22, 3.22, -0.005, -0.005, -0.037, -0.037, -0.037, -0.037, -0.037, -0.037, -0.037, -0.037, -0.037, -0.037, -0.037, -0.037 ]
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6.000001
8.351114
pbe
true
6747d5989f51a56d50ea2257d2404706_163_Li2Np2Tl2Br12
[ "Br", "O", "Tc", "Y" ]
14
A4BCD
BrO4TcY
Y2 Tc2 Br2 O8
4
[ 1, 1, 1 ]
3
[ [ 6.38740091, 0.15318956, -0.15933094 ], [ 2.26031492, 5.97606341, -0.15933094 ], [ 1.58884141, 1.12612522, 6.66488468 ] ]
agm005046632
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Tc", "Tc", "Br", "Br", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.5714285714285714, 0.14285714285714285, 0.14285714285714285 ]
[ [ 0.54249716, 0.00002833, 0.04526585 ], [ 0.00002833, 0.5424773, 0.03208313 ], [ 0.04526586, 0.03208314, 0.53215146 ] ]
-104.292099
[ 0.035, 0.035, 0.675, 0.675, 0.003, 0.003, 0.02, 0.02, 0.072, 0.017, 0.072, 0.072, 0.017, 0.072 ]
[ [ -0.00009371, -0.00006642, -0.00137306 ], [ 0.00009371, 0.00006642, 0.00137306 ], [ 0.00062987, 0.00044643, -0.0001693 ], [ -0.00062987, -0.00044643, 0.0001693 ], [ 0.00205463, 0.00145626, -0.00174991 ], [ -0.00205463, -0.00145626, 0.00174991 ], [ -0.00025688, -0.00018207, 0.0000383 ], [ 0.00025688, 0.00018207, -0.0000383 ], [ -0.00254499, -0.00154866, -0.00281739 ], [ 0.00200156, 0.00141865, -0.00064111 ], [ 0.00230424, 0.00188833, 0.00281739 ], [ -0.00230424, -0.00188833, -0.00281739 ], [ -0.00200156, -0.00141865, 0.00064111 ], [ 0.00254499, 0.00154866, 0.00281739 ] ]
2.010159
6.215773
pbe
true
9e1791d9d557157c1d14a5b16d307584_12_Y2Tc2Br2O8
[ "Br", "Rb", "Tl", "Zn" ]
20
A6B2CD
Br6RbTlZn2
Rb2 Tl2 Zn4 Br12
4
[ 1, 1, 1 ]
3
[ [ 9.22988928, -1.08144664, 0.13061967 ], [ -2.20331208, 9.02805621, 0.13061967 ], [ -1.96376285, -2.22089023, 10.24441654 ] ]
agm004945783
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Rb", "Rb", "Tl", "Tl", "Zn", "Zn", "Zn", "Zn", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.1, 0.2 ]
[ [ 1.0892949, -0.01012838, 0.03250402 ], [ -0.01012838, 1.0867962, 0.03675997 ], [ 0.03250403, 0.03675998, 0.98713344 ] ]
-52.734916
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.0005597, 0.0004949, 0 ], [ 0.0005597, -0.0004949, 0 ], [ -0.00121067, 0.0010705, 0 ], [ 0.00121067, -0.0010705, 0 ], [ 0.0012879, 0.00416358, -0.00183047 ], [ -0.00397458, -0.00178795, 0.00183047 ], [ -0.0012879, -0.00416358, 0.00183047 ], [ 0.00397458, 0.00178795, -0.00183047 ], [ -0.00318208, -0.00173903, -0.00021965 ], [ 0.00133637, 0.00337104, 0.00021965 ], [ 0.00318208, 0.00173903, 0.00021965 ], [ -0.00133637, -0.00337104, -0.00021965 ], [ -0.00220561, 0.0015594, -0.00031815 ], [ -0.0018177, 0.00199811, 0.00031815 ], [ 0.00220561, -0.0015594, 0.00031815 ], [ 0.0018177, -0.00199811, -0.00031815 ], [ -0.00010546, 0.00023045, 0.00000928 ], [ -0.00024163, 0.00007645, -0.00000928 ], [ 0.00010546, -0.00023045, -0.00000928 ], [ 0.00024163, -0.00007645, 0.00000928 ] ]
-0.000261
0
pbe
true
0fb84b97d0edeb9b11a02ac1f9d9eaad_15_Rb2Tl2Zn4Br12
[ "Br", "Pd", "Se", "Sr" ]
5
A2BCD
Br2PdSeSr
Sr1 Pd1 Se1 Br2
4
[ 1, 1, 1 ]
3
[ [ 5.84687183, 0, 0 ], [ 0, 5.84687183, 0 ], [ 0, 0, 6.12471623 ] ]
agm001686320
[ [ 0, 0, 0 ], [ 0, 0, 3.062358115 ], [ 0, 2.923435915, 0 ], [ 2.923435915, 0, 0 ], [ 2.923435915, 2.923435915, 3.062358115 ] ]
[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Se", "Br", "Br", "Pd" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.82348114, 0, 0 ], [ 0, 0.82348114, 0 ], [ 0, 0, 0.7120337 ] ]
-14.795082
[ -0.005, 0.713, 0.074, 0.074, 0.6 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.041683
8.870041
pbe
true
633bc0633cb05d38d8f1f11574933b98_123_Sr1Pd1Se1Br2
[ "Br", "Sb", "Te", "Y" ]
5
A2BCD
BrSbTe2Y
Y1 Sb1 Te2 Br1
4
[ 1, 1, 1 ]
3
[ [ 5.74770788, 0, 0 ], [ 0, 5.74770788, 0 ], [ 0, 0, 6.01635368 ] ]
agm001805846
[ [ 0, 0, 0 ], [ 0, 0, 3.00817684 ], [ 0, 2.87385394, 0 ], [ 2.87385394, 0, 0 ], [ 2.87385394, 2.87385394, 3.00817684 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"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": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Sb", "Te", "Te", "Br" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.33101463, 0, 0 ], [ 0, 0.33101463, 0 ], [ 0, 0, 0.6641429 ] ]
-18.647625
[ -0.007, -0.005, 0.101, 0.101, 0.028 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.376092
5.408383
pbe
true
c09895579b9bf8b0c45883a66262ab8a_123_Y1Sb1Te2Br1
[ "C", "Ca", "N", "Sr" ]
36
A4B3CD
CCaN4Sr3
C4 Ca4 N16 Sr12
4
[ 1, 1, 1 ]
3
[ [ 0, -3.77426895, 0 ], [ -12.08147409, 0, 0 ], [ 0, 0, -14.53799114 ] ]
mp-1208816
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Ca", "Ca", "Ca", "Ca", "C", "C", "C", "C", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N" ]
2019-01-12 11:39:41
[ 0.1111111111111111, 0.1111111111111111, 0.4444444444444444, 0.3333333333333333 ]
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-225.23142
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0
4.167912
pbe
true
59140a1ef5e94ee5924e7544ebaeabd9_62_Sr12Ca4C4N16
[ "C", "Ca", "Zn", "Zr" ]
5
A2BCD
CCaZn2Zr
Ca1 Zr1 Zn2 C1
4
[ 1, 1, 1 ]
3
[ [ 4.35529975, 0, 0 ], [ 0, 4.7119204, 0 ], [ 0, 0, 4.35529975 ] ]
agm001492907
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "C", "Zn", "Zn", "Ca", "Zr" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.91690457, 0, 0 ], [ 0, -2.837108, 0 ], [ 0, 0, 0.91690457 ] ]
-18.749588
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0.251875
2.726425
pbe
true
b26a6b137caee0579af3824e94f138cb_123_Ca1Zr1Zn2C1
[ "C", "Cl", "S", "Se" ]
5
A2BCD
CCl2SSe
C1 Se1 S1 Cl2
4
[ 1, 1, 1 ]
3
[ [ 4.28358637, 0, 0 ], [ 0, 4.28358637, 0 ], [ 0, 0, 4.49330517 ] ]
agm001691176
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "S", "C", "Se", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ -0.02090331, 0, 0 ], [ 0, -0.02090331, 0 ], [ 0, 0, 0.504458 ] ]
-14.065508
[ 0, 0, 0, 0, 0 ]
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0
2.462565
pbe
true
22257bc00666dd56d17be1ca6f372b04_123_C1Se1S1Cl2
[ "C", "Co", "Fe", "Ga" ]
5
A2BCD
CCo2FeGa
Ga1 Fe1 Co2 C1
4
[ 1, 1, 1 ]
3
[ [ 3.73540488, 0, 0 ], [ 0, 3.73540488, 0 ], [ 0, 0, 3.75621883 ] ]
agm001623453
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[{"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": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "C", "Co", "Co", "Fe", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.24962588, 0, 0 ], [ 0, 0.24962588, 0 ], [ 0, 0, 0.77610075 ] ]
-35.335045
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1.069798
3.814053
pbe
true
a0aefbdec1e5dda9238f48d87f335d97_123_Ga1Fe1Co2C1
[ "C", "Co", "Mg", "Se" ]
5
A2BCD
CCoMg2Se
Mg2 Co1 C1 Se1
4
[ 1, 1, 1 ]
3
[ [ 4.52381103, 0, 0 ], [ 0, 4.52381103, 0 ], [ 0, 0, 3.65407421 ] ]
agm001609191
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Mg", "Mg", "Co", "C", "Se" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.4778084, 0, 0 ], [ 0, 0.4778084, 0 ], [ 0, 0, -0.21708062 ] ]
-23.590999
[ 0, 0, -0.011, 0, -0.001 ]
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-0.011976
3.076788
pbe
true
3e5efc6716648e383a45555819040c21_123_Mg2Co1C1Se1
[ "C", "Cr", "Pa", "U" ]
16
A4B2CD
C4CrPa2U
U2 Pa4 Cr2 C8
4
[ 1, 1, 1 ]
3
[ [ 3.39625274, 0, 0 ], [ -1.69812637, 5.77969186, 0 ], [ 0, 0, 12.01618615 ] ]
agm004781547
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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": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "U", "U", "Pa", "Pa", "Pa", "Pa", "Cr", "Cr", "C", "C", "C", "C", "C", "C", "C", "C" ]
2023-11-16 06:57:59
[ 0.5, 0.125, 0.25, 0.125 ]
[ [ -0.11580126, 0, 0 ], [ 0, -0.06226231, 0 ], [ 0, 0, -0.13331798 ] ]
-155.018642
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5.750018
17.831305
pbe
true
4e01068667f81c818ab4c0f984fe205f_63_U2Pa4Cr2C8
[ "C", "Dy", "N", "Th" ]
4
ABCD
CDyNTh
Dy1 Th1 C1 N1
4
[ 1, 1, 1 ]
3
[ [ 3.65893878, 0, 0 ], [ 0, 3.65893878, 0 ], [ 0, 0, 5.11069648 ] ]
agm005275193
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[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Dy", "Th", "C", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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-33.32595
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000002
1.529624
pbe
true
f6c371424c29750b312c66adbd705a3b_123_Dy1Th1C1N1
[ "C", "Er", "Ga", "Tc" ]
5
A2BCD
CEr2GaTc
Er2 Ga1 Tc1 C1
4
[ 1, 1, 1 ]
3
[ [ 3.9804617, 0, 0 ], [ 0, 4.84973257, 0 ], [ 0, 0, 4.84973257 ] ]
agm005012805
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[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Er", "Er", "Ga", "Tc", "C" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.08210933, 0, 0 ], [ 0, -0.00212375, 0 ], [ 0, 0, -0.00212375 ] ]
-33.870743
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.993743
pbe
true
82ba402817bb91142488028d5a08987a_123_Er2Ga1Tc1C1
[ "C", "Er", "Hf", "Si" ]
7
A2B2C2D
CEr2Hf2Si2
Er2 Hf2 Si2 C1
4
[ 1, 1, 1 ]
3
[ [ 4.34932365, 0, 0 ], [ 0, 4.34932365, 0 ], [ -2.17466183, -2.17466182, 7.48390139 ] ]
agm004541394
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Er", "Er", "Hf", "Hf", "Si", "Si", "C" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.2857142857142857, 0.2857142857142857, 0.2857142857142857 ]
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-53.832671
[ 0.003, 0.003, 0.002, 0.002, 0, 0, 0 ]
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0.014217
6.99756
pbe
true
dccc0b5c46dd6a48564d28aa22d53411_139_Er2Hf2Si2C1
[ "C", "Er", "P", "Te" ]
8
A4B2CD
CEr4PTe2
Er4 Te2 P1 C1
4
[ 1, 1, 1 ]
3
[ [ 3.9392696, 0, 0 ], [ 0, 6.8873823, 0.13321583 ], [ 0, -2.40176408, 6.88395356 ] ]
agm004831840
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2023-11-16 06:57:59
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655ae0e933f8e60b4ae14b2a5ef8ca8e_10_Er4Te2P1C1
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12
A6B3C2D
CEr6S2Te3
Er6 Te3 C1 S2
4
[ 1, 1, 1 ]
3
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agm004640195
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[ "Er", "Er", "Er", "Er", "Er", "Er", "Te", "Te", "Te", "C", "S", "S" ]
2023-11-16 06:57:59
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0.00004
4.930397
pbe
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fbe269fad9f27a188427fc0bc0f800bf_12_Er6Te3C1S2
[ "C", "Fe", "Lu", "Si" ]
7
A2B2C2D
CFe2Lu2Si2
Lu2 Fe2 Si2 C1
4
[ 1, 1, 1 ]
3
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agm003258461
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[ "Lu", "Lu", "Fe", "Fe", "Si", "Si", "C" ]
2023-11-16 06:57:59
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0.000158
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pbe
true
e7a09ad5f60ae62c1c7e1fbbebea1dc9_12_Lu2Fe2Si2C1
[ "C", "Fe", "Rb", "V" ]
5
A2BCD
CFeRb2V
Rb2 V1 Fe1 C1
4
[ 1, 1, 1 ]
3
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agm001453531
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[ "C", "Fe", "Rb", "Rb", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-21.421998
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15.539289
pbe
true
0ab0c225a3ff919e6a085675b9a0af46_123_Rb2V1Fe1C1
[ "C", "Ga", "Ru", "Tb" ]
6
A2B2CD
CGa2Ru2Tb
Tb1 Ga2 Ru2 C1
4
[ 1, 1, 1 ]
3
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agm004748866
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[ "Tb", "Ga", "Ga", "Ru", "Ru", "C" ]
2023-11-16 06:57:59
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2.430716
pbe
true
9681412f82195c8d25271cbd20fd3b5f_123_Tb1Ga2Ru2C1
[ "C", "Ge", "Ho", "S" ]
8
A4B2CD
CGeHo4S2
Ho4 Ge1 C1 S2
4
[ 1, 1, 1 ]
3
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agm004810531
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[ "Ho", "Ho", "Ho", "Ho", "Ge", "C", "S", "S" ]
2023-11-16 06:57:59
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-0.000003
1.991984
pbe
true
3ca23274b81350212d6e267ed7eefc0e_119_Ho4Ge1C1S2
[ "C", "H", "K", "O" ]
12
A3BCD
CHKO3
K2 H2 C2 O6
4
[ 1, 1, 1 ]
3
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agm003211498
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[ "C", "C", "H", "H", "K", "K", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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0
0
pbe
true
9a21a9e2347a90f2f0551eb000f62526_2_K2H2C2O6
[ "C", "Hf", "Mg", "N" ]
5
A2BCD
CHfMgN2
Hf1 Mg1 C1 N2
4
[ 1, 1, 1 ]
3
[ [ 4.1709164, 0, 0 ], [ 0, 4.26677567, 0 ], [ 0, 0, 4.1709164 ] ]
agm001544991
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Mg", "Hf", "C", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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0.000051
2.857738
pbe
true
b4375f730a558b6eef0d4d81879093b0_123_Hf1Mg1C1N2
[ "C", "Hf", "Os", "Si" ]
7
A2B2C2D
CHf2Os2Si2
Hf2 Si2 Os2 C1
4
[ 1, 1, 1 ]
3
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agm002388895
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[ "Hf", "Hf", "Si", "Si", "Os", "Os", "C" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.2857142857142857, 0.2857142857142857, 0.2857142857142857 ]
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0
2.035353
pbe
true
a9b9a45421b3926e52082a2147aa9c0a_12_Hf2Si2Os2C1
[ "C", "Hg", "Ho", "S" ]
12
A6B3C2D
C3HgHo6S2
Ho6 Hg1 C3 S2
4
[ 1, 1, 1 ]
3
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agm004609816
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[ "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Hg", "C", "C", "C", "S", "S" ]
2023-11-16 06:57:59
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0.000062
4.623701
pbe
true
bd22bb88222078f0267f1201f2e81957_12_Ho6Hg1C3S2
[ "C", "Ho", "Os", "Sm" ]
12
A2B2CD
C2HoOsSm2
Sm4 Ho2 Os2 C4
4
[ 1, 1, 1 ]
3
[ [ 3.7836534, 0, 0 ], [ 0, 5.63500519, 0 ], [ 0, 0, 11.16608866 ] ]
agm004756879
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[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"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": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Sm", "Sm", "Sm", "Sm", "Ho", "Ho", "Os", "Os", "C", "C", "C", "C" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333 ]
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-88.789633
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[ [ 0, -0.00385651, -0.00177469 ], [ 0, -0.00385651, 0.00177469 ], [ 0, 0.00385651, 0.00177469 ], [ 0, 0.00385651, -0.00177469 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00236908, -0.0030105 ], [ 0, 0.00236908, 0.0030105 ], [ 0, 0.00236908, -0.0030105 ], [ 0, -0.00236908, 0.0030105 ] ]
0.000069
8.3583
pbe
true
8872be79e48b3fd5c25741103887de33_58_Sm4Ho2Os2C4
[ "C", "Ho", "S", "Tb" ]
4
ABCD
CHoSTb
Tb1 Ho1 C1 S1
4
[ 1, 1, 1 ]
3
[ [ 3.77672921, 0, 0 ], [ 0, 3.77672921, 0 ], [ 0, 0, 5.30362014 ] ]
agm005199476
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"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": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Tb", "Ho", "C", "S" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.14079124, 0, 0 ], [ 0, 0.14079124, 0 ], [ 0, 0, 0.03629236 ] ]
-26.844158
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000007
1.115571
pbe
true
31f503ae7e2e15fb77cb491fbd254515_123_Tb1Ho1C1S1
[ "C", "I", "Ir", "Pr" ]
16
A8B4C3D
CI4Ir3Pr8
Pr8 Ir3 C1 I4
4
[ 1, 1, 1 ]
3
[ [ 8.37094052, 0, 0 ], [ 0, 9.43017686, 0.73212827 ], [ -4.18547026, -4.18414368, 5.92309966 ] ]
agm004735011
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[{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Ir", "Ir", "Ir", "C", "I", "I", "I", "I" ]
2023-11-16 06:57:59
[ 0.0625, 0.25, 0.1875, 0.5 ]
[ [ -0.09314849, 0, 0 ], [ 0, -0.15278707, -0.01811748 ], [ 0, -0.0181175, -0.08777686 ] ]
-93.596164
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00031719, 0.00147168, -0.0008549 ], [ 0, 0.00141782, -0.00224962 ], [ 0, 0.00201696, 0.00254803 ], [ -0.00031719, 0.00147168, -0.0008549 ], [ 0.00031719, -0.00147168, 0.0008549 ], [ 0, -0.00201696, -0.00254803 ], [ 0, -0.00141782, 0.00224962 ], [ -0.00031719, -0.00147168, 0.0008549 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000033
9.540503
pbe
true
1446a68cb9b0d913d6816f2f84e3c078_166_Pr8Ir3C1I4
[ "C", "I", "Rb", "Re" ]
10
A6B2CD
CI6Rb2Re
Rb2 Re1 C1 I6
4
[ 1, 1, 1 ]
3
[ [ 7.80441328, 0, 0 ], [ 0, 7.80441328, 0 ], [ 3.90220664, 3.90220664, 6.13226663 ] ]
agm004479598
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[{"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "I", "I", "I", "I", "I", "I", "Re", "C", "Rb", "Rb" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
[ [ 2.4256291, 0, 0 ], [ 0, 2.4256291, 0 ], [ 0, 0, 0.18424894 ] ]
-32.010106
[ 0.042, 0.042, 0.042, 0.042, 0.036, 0.036, 2.599, 0.739, 0.003, 0.003 ]
[ [ 0, 0, -0.0270427 ], [ 0, 0, 0.0270427 ], [ 0.01588771, 0.01588771, 0 ], [ -0.01588771, -0.01588771, 0 ], [ -0.01588771, 0.01588771, 0 ], [ 0.01588771, -0.01588771, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.000029
1.767681
pbe
true
56856314381a25538e306b8bb970d114_139_Rb2Re1C1I6
[ "C", "In", "Rh", "Ru" ]
5
A2BCD
C2InRhRu
In1 Ru1 Rh1 C2
4
[ 1, 1, 1 ]
3
[ [ 3.84511473, 0, 0 ], [ 0, 5.5733838, 0 ], [ 0, 0, 3.84511473 ] ]
agm001570238
[ [ 0, 2.7866919, 0 ], [ 0, 0, 1.922557365 ], [ 1.922557365, 0, 0 ], [ 0, 0, 0 ], [ 1.922557365, 2.7866919, 1.922557365 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Ru", "C", "C", "Rh", "In" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 3.617499, 0, 0 ], [ 0, 1.5259953, 0 ], [ 0, 0, 3.617499 ] ]
-29.803086
[ 1.111, -0.04, -0.018, 0.004, -0.05 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.971858
3.913482
pbe
true
4090c8660c3ce37437099fdf04499501_123_In1Ru1Rh1C2
[ "C", "K", "Te", "V" ]
5
A2BCD
CKTe2V
K1 V1 Te2 C1
4
[ 1, 1, 1 ]
3
[ [ 5.97910377, 0, 0 ], [ 0, 4.68615744, 0 ], [ 0, 0, 5.97910377 ] ]
agm001492017
[ [ 0, 0, 0 ], [ 0, 0, 2.989551885 ], [ 2.989551885, 0, 0 ], [ 0, 2.34307872, 0 ], [ 2.989551885, 2.34307872, 2.989551885 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "K", "Te", "Te", "C", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -0.76633537, 0, 0 ], [ 0, 0.76942927, 0 ], [ 0, 0, -0.76633537 ] ]
-14.8285
[ 0.043, 0.007, 0.088, 0.959, -2.972 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-1.356796
11.373428
pbe
true
9c457e64dd3a9c759ea96a113164e0d2_123_K1V1Te2C1
[ "C", "Ir", "N", "S" ]
5
A2BCD
CIrN2S
Ir1 C1 S1 N2
4
[ 1, 1, 1 ]
3
[ [ 3.69641579, 0, 0 ], [ 0, 3.69641579, 0 ], [ 0, 0, 5.33562344 ] ]
agm001729410
[ [ 0, 0, 2.66781172 ], [ 0, 0, 0 ], [ 1.848207895, 1.848207895, 2.66781172 ], [ 0, 1.848207895, 0 ], [ 1.848207895, 0, 0 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "S", "Ir", "C", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.5045476, 0, 0 ], [ 0, 0.5045476, 0 ], [ 0, 0, 0.9148159 ] ]
-28.73306
[ -0.052, 0.015, 0.447, 0.157, 0.157 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.250729
2.280959
pbe
true
e3aa226ca9116e5fa20a8646c984405f_123_Ir1C1S1N2
[ "C", "La", "Sr", "Tl" ]
5
A2BCD
CLa2SrTl
Sr1 La2 Tl1 C1
4
[ 1, 1, 1 ]
3
[ [ 5.1993088, 0, 0 ], [ 0, 5.1993088, 0 ], [ 0, 0, 5.45898889 ] ]
agm001640954
[ [ 0, 0, 2.729494445 ], [ 2.5996544, 2.5996544, 2.729494445 ], [ 0, 0, 0 ], [ 0, 2.5996544, 0 ], [ 2.5996544, 0, 0 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Sr", "Tl", "C", "La", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ -0.01870489, 0, 0 ], [ 0, -0.01870489, 0 ], [ 0, 0, 0.14015315 ] ]
-23.870375
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000003
6.794615
pbe
true
e7df143d4d0bed3cf21383b7cfd46cbe_123_Sr1La2Tl1C1
[ "C", "Mo", "Sc", "Sn" ]
5
A2BCD
CMoSc2Sn
Sc2 Sn1 Mo1 C1
4
[ 1, 1, 1 ]
3
[ [ 4.57365874, 0, 0 ], [ 0, 4.57365874, 0 ], [ 0, 0, 4.13046069 ] ]
agm001618895
[ [ 0, 2.28682937, 0 ], [ 2.28682937, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.065230345 ], [ 2.28682937, 2.28682937, 2.065230345 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Sc", "Sc", "C", "Mo", "Sn" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.3013623, 0, 0 ], [ 0, 0.3013623, 0 ], [ 0, 0, -0.2727819 ] ]
-39.149333
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.608151
pbe
true
9ec89f087dac09e9063092a2518751f2_123_Sc2Sn1Mo1C1
[ "C", "Mo", "U", "V" ]
12
A3BCD
C3MoUV
U2 V2 Mo2 C6
4
[ 1, 1, 1 ]
3
[ [ 3.09708034, 0, 0 ], [ 0, 5.49947157, 0.06744442 ], [ 0, -1.9876895, 7.94635378 ] ]
agm005039828
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[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "U", "U", "V", "V", "Mo", "Mo", "C", "C", "C", "C", "C", "C" ]
2023-11-16 06:57:59
[ 0.5, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]
[ [ 0.24132942, 0, 0 ], [ 0, 0.27730036, 0.06256455 ], [ 0, 0.06256438, -0.00328602 ] ]
-121.499803
[ -0.001, -0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00018181, -0.00197264 ], [ 0, -0.00018181, 0.00197264 ], [ 0, 0.00304503, -0.0058012 ], [ 0, -0.00304503, 0.0058012 ], [ 0, 0.00302092, -0.00060804 ], [ 0, -0.00302092, 0.00060804 ], [ 0, -0.00073482, 0.00267334 ], [ 0, -0.00034562, 0.0007081 ], [ 0, -0.00339393, 0.00167325 ], [ 0, 0.00073482, -0.00267334 ], [ 0, 0.00339393, -0.00167325 ], [ 0, 0.00034562, -0.0007081 ] ]
-0.001722
7.704468
pbe
true
65b04d044bbf0cf83c35e5f73b2adc18_11_U2V2Mo2C6
[ "C", "N", "Te", "W" ]
5
A2BCD
CN2TeW
Te1 W1 C1 N2
4
[ 1, 1, 1 ]
3
[ [ 3.82352517, 0, 0 ], [ 0, 3.82352517, 0 ], [ 0, 0, 5.79729697 ] ]
agm001737138
[ [ 1.911762585, 1.911762585, 2.898648485 ], [ 0, 0, 2.898648485 ], [ 0, 0, 0 ], [ 0, 1.911762585, 0 ], [ 1.911762585, 0, 0 ] ]
[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "C", "Te", "W", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.49211395, 0, 0 ], [ 0, 0.49211395, 0 ], [ 0, 0, 0.42143503 ] ]
-34.75334
[ 0.521, -0.038, 0.158, -0.058, -0.058 ]
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1.025103
3.923727
pbe
true
51f5343407b46dfaeb5e387e99a930f7_123_Te1W1C1N2
[ "C", "Ni", "Os", "S" ]
5
A2BCD
CNiOs2S
Ni1 Os2 C1 S1
4
[ 1, 1, 1 ]
3
[ [ 4.62413915, 0, 0 ], [ 0, 3.90012471, 0 ], [ 0, 0, 4.62413915 ] ]
agm001573731
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[ "Ni", "S", "Os", "Os", "C" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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3.990401
5.479288
pbe
true
eca80fec6371b9dd4ea11a74a0ebf0af_123_Ni1Os2C1S1
[ "C", "P", "S", "Zr" ]
5
A2BCD
CPS2Zr
Zr1 P1 C1 S2
4
[ 1, 1, 1 ]
3
[ [ 4.16382777, 0, 0 ], [ 0, 4.16382777, 0 ], [ 0, 0, 4.11194852 ] ]
agm001775633
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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": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "S", "S", "C", "Zr" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.09431602, 0, 0 ], [ 0, 0.09431602, 0 ], [ 0, 0, 0.10324212 ] ]
-29.093873
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0.00003
2.422039
pbe
true
aceff9ef411185c9775083b0548812e1_123_Zr1P1C1S2
[ "C", "Re", "S", "Ta" ]
5
A2BCD
CReS2Ta
Ta1 Re1 C1 S2
4
[ 1, 1, 1 ]
3
[ [ 4.62538729, 0, 0 ], [ 0, 5.11008061, 0 ], [ 0, 0, 4.62538729 ] ]
agm001528727
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Re", "S", "S", "C", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.1322699, 0, 0 ], [ 0, -0.74965745, 0 ], [ 0, 0, 1.1322699 ] ]
-30.604706
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0.480577
7.622256
pbe
true
c760b563570c1b6302a8a5192cd64899_123_Ta1Re1C1S2
[ "C", "Sb", "Sc", "Sn" ]
10
A6B2CD
CSbSc6Sn2
Sc6 Sn2 Sb1 C1
4
[ 1, 1, 1 ]
3
[ [ 4.98465579, 0, 0 ], [ 0, 4.98465579, 0 ], [ 0, 0, 9.6544754 ] ]
agm004984087
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sn", "Sn", "Sb", "C" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.2 ]
[ [ 0.05764199, 0, 0 ], [ 0, 0.05764199, 0 ], [ 0, 0, 0.06851748 ] ]
-62.326829
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-0.000019
7.636297
pbe
true
90d4d1dec9a967303cb140d1013dd327_123_Sc6Sn2Sb1C1
[ "C", "Si", "Ta", "Tc" ]
5
A2BCD
CSiTaTc2
Ta1 Si1 Tc2 C1
4
[ 1, 1, 1 ]
3
[ [ 4.83056689, 0, 0 ], [ 0, 3.95942985, 0 ], [ 0, 0, 4.83056689 ] ]
agm001491879
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[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "C", "Si", "Tc", "Tc", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.66061586, 0, 0 ], [ 0, -3.3088026, 0 ], [ 0, 0, 0.66061586 ] ]
-37.515523
[ 0, 0, 0.001, -0.001, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000041
6.118008
pbe
true
2225484b8906382c00bb60c267491596_123_Ta1Si1Tc2C1
[ "Ca", "Cd", "Hg", "Mg" ]
6
A2B2CD
CaCdHg2Mg2
Ca1 Mg2 Cd1 Hg2
4
[ 1, 1, 1 ]
3
[ [ 4.96815761, 0, 0 ], [ -2.48407881, 4.3025507, 0 ], [ 0, 0, 6.59289924 ] ]
agm004743978
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Ca", "Mg", "Mg", "Cd", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.7721019, 0, 0 ], [ 0, 3.7721019, 0 ], [ 0, 0, 3.7024505 ] ]
-8.576311
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.01656362 ], [ 0, 0, -0.01656362 ], [ 0, 0, 0 ], [ 0, 0, -0.00023473 ], [ 0, 0, 0.00023473 ] ]
-0.000005
3.409193
pbe
true
577fdd036d31b2f36e01c69f3033d16a_164_Ca1Mg2Cd1Hg2
[ "Ca", "Cd", "Ir", "Sn" ]
5
A2BCD
Ca2CdIrSn
Ca2 Cd1 Sn1 Ir1
4
[ 1, 1, 1 ]
3
[ [ 5.54020754, 0, 0 ], [ 0, 5.54020754, 0 ], [ 0, 0, 5.05291479 ] ]
agm001643604
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ca", "Ca", "Ir", "Sn", "Cd" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 2.481703, 0, 0 ], [ 0, 2.481703, 0 ], [ 0, 0, 2.5713913 ] ]
-19.324924
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.496498
pbe
true
17c9e33cb5101c1933ca6ba63d76752c_123_Ca2Cd1Sn1Ir1
[ "Ca", "Cd", "Pd", "Sn" ]
10
A4B3C2D
Ca2CdPd4Sn3
Ca2 Cd1 Sn3 Pd4
4
[ 1, 1, 1 ]
3
[ [ 4.56702327, 0, 0 ], [ 0, 4.56702327, 0 ], [ 0, 0, 10.92954412 ] ]
agm004523859
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Ca", "Ca", "Cd", "Sn", "Sn", "Sn", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.4, 0.3 ]
[ [ 5.372632, 0, 0 ], [ 0, 5.372632, 0 ], [ 0, 0, 5.309256 ] ]
-44.059118
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00158773 ], [ 0, 0, 0.00158773 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00254221 ], [ 0, 0, -0.00254221 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00645551 ], [ 0, 0, 0.00645551 ] ]
-0
6.636032
pbe
true
fd792c321828c008a7daabe0fa169fa8_115_Ca2Cd1Sn3Pd4
[ "Ca", "Co", "Ho", "Li" ]
4
ABCD
CaCoHoLi
Li1 Ca1 Ho1 Co1
4
[ 1, 1, 1 ]
3
[ [ 4.91279999, 0, 0 ], [ 2.4564, 4.2546096, 0 ], [ 2.4564, 1.4182032, 4.0112844 ] ]
agm001381929
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Ca", "Co", "Ho", "Li" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.8208609, 0, 0 ], [ 0, 0.8208609, 0 ], [ 0, 0, 0.8208609 ] ]
-15.158638
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000008
2.737337
pbe
true
ac045f4ee5608361aee3bc7887b87d3f_216_Li1Ca1Ho1Co1
[ "Ca", "Cr", "Cu", "Zn" ]
4
ABCD
CaCrCuZn
Ca1 Zn1 Cr1 Cu1
4
[ 1, 1, 1 ]
3
[ [ 4.63083709, 0, 0 ], [ 0, 3.5724303, 0 ], [ 0, 0, 4.41885949 ] ]
agm002051179
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"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"]}]
[ "Cr", "Zn", "Ca", "Cu" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.5185752, 0, 0 ], [ 0, -1.8805517, 0 ], [ 0, 0, -1.3665625 ] ]
-15.926472
[ 3.452, -0.066, -0.048, 0.003 ]
[ [ 0, 0, -0.00284151 ], [ 0, 0, -0.00292685 ], [ 0, 0, -0.00385923 ], [ 0, 0, 0.00962759 ] ]
3.501168
1.950562
pbe
true
195c9d1588fcd8a1f30f404867588a1a_47_Ca1Zn1Cr1Cu1
[ "Ca", "Cs", "Er", "F" ]
18
A12B3C2D
Ca3Cs2ErF12
Cs2 Ca3 Er1 F12
4
[ 1, 1, 1 ]
3
[ [ 8.28129057, 0.09364837, 0.06642389 ], [ 4.17116665, 7.1547126, 0.06642389 ], [ 4.17116665, 2.42796429, 6.7304765 ] ]
agm004498346
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[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Ca", "Ca", "Ca", "Er", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.1111111111111111, 0.05555555555555555, 0.6666666666666666 ]
[ [ 1.624475, 0.0575999, 0.04085506 ], [ 0.0575999, 1.5590482, 0.02378103 ], [ 0.04085506, 0.02378103, 1.5423878 ] ]
-97.041709
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1.304466
19.335623
pbe
true
953f11ffaa4f38e3fce7477f611f272a_166_Cs2Ca3Er1F12
[ "Ca", "Cu", "F", "N" ]
5
A2BCD
CaCuF2N
Ca1 Cu1 N1 F2
4
[ 1, 1, 1 ]
3
[ [ 4.13309868, 0, 0 ], [ 0, 4.13309868, 0 ], [ 0, 0, 3.72963499 ] ]
agm001694989
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[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Ca", "N", "Cu", "F", "F" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 2.1757815, 0, 0 ], [ 0, 2.1757815, 0 ], [ 0, 0, 0.6850631 ] ]
-24.487446
[ 0.009, 0.555, 0.366, 0.034, 0.034 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.269429
2.056776
pbe
true
9c4ca045cfb60c1daa4ddd42db7267fa_123_Ca1Cu1N1F2
[ "Ca", "Cu", "Li", "Zn" ]
10
A6B2CD
Ca2Cu6LiZn
Li1 Ca2 Zn1 Cu6
4
[ 1, 1, 1 ]
3
[ [ 6.47176311, -0.32727152, -1.33369507 ], [ -0.27949422, 6.45988646, 1.32644769 ], [ 2.16605145, 4.02640371, 4.76526966 ] ]
agm004942551
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"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"]}]
[ "Li", "Ca", "Ca", "Zn", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -4.846939, 0.02871062, -0.1133058 ], [ 0.02871039, -4.90886, 0.11864671 ], [ -0.11330575, 0.11864595, -4.866403 ] ]
-32.337595
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[ [ 0, 0, 0 ], [ 0.00106567, 0.00107887, 0.00091795 ], [ -0.00106567, -0.00107887, -0.00091795 ], [ 0, 0, 0 ], [ 0.0005071, 0.00056854, -0.00263806 ], [ 0.00232078, 0.00096682, -0.00143972 ], [ 0.00315592, -0.00162511, -0.00118938 ], [ -0.0005071, -0.00056854, 0.00263806 ], [ -0.00232078, -0.00096682, 0.00143972 ], [ -0.00315592, 0.00162511, 0.00118938 ] ]
0
3.871206
pbe
true
8bcae4b4744c50a1d750a983373c5a4a_2_Li1Ca2Zn1Cu6
[ "Ca", "Cu", "La", "O" ]
9
A5B2CD
CaCu2LaO5
Ca1 La1 Cu2 O5
4
[ 1, 1, 1 ]
3
[ [ 3.8540597, 0, 0 ], [ 0, 3.8540597, 0 ], [ 0, 0, 7.10297517 ] ]
agm005168815
[ [ 0, 0, 0 ], [ 0, 0, 3.551487585 ], [ 1.92702985, 1.92702985, 1.5439450166832132 ], [ 1.92702985, 1.92702985, 5.559030153316787 ], [ 0, 1.92702985, 1.571438502673732 ], [ 1.92702985, 0, 1.571438502673732 ], [ 0, 1.92702985, 5.531536667326268 ], [ 1.92702985, 0, 5.531536667326268 ], [ 1.92702985, 1.92702985, 3.551487585 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Ca", "La", "Cu", "Cu", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.2222222222222222, 0.1111111111111111, 0.5555555555555556 ]
[ [ 0.37126103, 0, 0 ], [ 0, 0.37126103, 0 ], [ 0, 0, 0.56554765 ] ]
-56.579429
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.01364446 ], [ 0, 0, 0.01364446 ], [ 0, 0, 0.001369 ], [ 0, 0, 0.001369 ], [ 0, 0, -0.001369 ], [ 0, 0, -0.001369 ], [ 0, 0, 0 ] ]
0
1.946506
pbe
true
c147de8e424c4caca8c59b44c8386e62_123_Ca1La1Cu2O5
[ "Ca", "Cu", "Mg", "Sr" ]
5
A2BCD
CaCuMg2Sr
Sr1 Ca1 Mg2 Cu1
4
[ 1, 1, 1 ]
3
[ [ 5.23545068, 0, 0 ], [ 0, 5.23545068, 0 ], [ 0, 0, 5.56919387 ] ]
agm001633323
[ [ 0, 0, 2.784596935 ], [ 2.61772534, 2.61772534, 2.784596935 ], [ 0, 2.61772534, 0 ], [ 2.61772534, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Ca", "Mg", "Mg", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.05001968, 0, 0 ], [ 0, 0.05001968, 0 ], [ 0, 0, -0.11980766 ] ]
-10.659925
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
4.028722
pbe
true
291ec8e4b5cd3a22e4d783ce839c8a7d_123_Sr1Ca1Mg2Cu1
[ "Ca", "Cu", "Mg", "Rb" ]
5
A2BCD
Ca2CuMgRb
Rb1 Ca2 Mg1 Cu1
4
[ 1, 1, 1 ]
3
[ [ 5.80038024, 0, 0 ], [ 0, 5.80038024, 0 ], [ 0, 0, 5.35000389 ] ]
agm001658970
[ [ 0, 0, 2.675001945 ], [ 0, 2.90019012, 0 ], [ 2.90019012, 0, 0 ], [ 0, 0, 0 ], [ 2.90019012, 2.90019012, 2.675001945 ] ]
[{"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": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Mg", "Ca", "Ca", "Cu", "Rb" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ -0.47240892, 0, 0 ], [ 0, -0.47240892, 0 ], [ 0, 0, -0.5636842 ] ]
-10.088802
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000006
4.253761
pbe
true
645db3cc45dda11ec77debcdaf95e84a_123_Rb1Ca2Mg1Cu1
[ "Ca", "Cu", "S", "Sb" ]
8
A4B2CD
CaCu2S4Sb
Ca1 Cu2 Sb1 S4
4
[ 1, 1, 1 ]
3
[ [ 5.86246801, 0.24569898, 0 ], [ -0.24143567, 5.86264514, 0 ], [ -2.81051617, -3.05417206, 5.47049939 ] ]
agm004872866
[ [ 2.81051617, 3.05417206, 5.470153982668515 ], [ 2.93123119448383, 0.12284643582793987, 2.73546304447621 ], [ -0.12072064551617011, 2.9313195158279397, 2.73546304447621 ], [ -0.000002838621331884083, -0.000003084713780642864, 5.470436533962008 ], [ 1.3347818063623735, 1.4504998557572046, 3.824006755065762 ], [ 1.3614197130775552, 4.3876680708790925, 1.648072624568057 ], [ 4.259618247954784, 1.720682157465027, 1.648072624568057 ], [ -1.3347818063623738, -1.4504998557572049, 3.824006755065762 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Ca", "Cu", "Cu", "Sb", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.5, 0.125 ]
[ [ -1.4504495, -0.1269906, 0 ], [ -0.1269906, -1.4715899, 0 ], [ 0, 0, -1.3601694 ] ]
-35.409206
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00181971 ], [ 0, 0, -0.00017732 ], [ 0, 0, -0.00017732 ], [ 0, 0, 0.00218074 ], [ -0.00108499, -0.00117906, 0.00117373 ], [ -0.00004812, 0.00004428, -0.00299663 ], [ 0.00004812, -0.00004428, -0.00299663 ], [ 0.00108499, 0.00117906, 0.00117373 ] ]
-0.000021
3.96111
pbe
true
69874b812b04fb6968bd08aac05e23f5_121_Ca1Cu2Sb1S4
[ "Ca", "Cu", "Pt", "Zn" ]
12
A3BCD
CaCuPtZn3
Ca2 Zn6 Cu2 Pt2
4
[ 1, 1, 1 ]
3
[ [ 5.47894366, 0, 0 ], [ 0, 8.12535382, 0 ], [ 0, -4.06267691, 5.43031811 ] ]
agm005042974
[ [ 4.109207745, -4.062676899382534e-8, 3.2598625894301634 ], [ 1.369735915, 4.06267695062677, 2.1704555205698366 ], [ 1.369735915, 0.000004062676909886374, 2.0753963358683967 ], [ 0, -1.9324034156058367, 5.43031811 ], [ 2.73947183, 5.995080325605837, 0 ], [ 2.73947183, -1.9324034156058367, 5.43031811 ], [ 0, 5.995080325605837, 0 ], [ 4.109207745, 4.06267284732309, 3.3549217741316033 ], [ 1.369735915, -7.228323970196586e-17, 4.5676172648722995 ], [ 4.109207745, 4.0626769099999995, 0.8627008451277005 ], [ 1.369735915, 4.062680972676911, 4.998894432444845 ], [ 4.109207745, -0.0000040626769100076694, 0.4314236775551542 ] ]
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"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"]}]
[ "Ca", "Ca", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Cu", "Cu", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ -0.78862244, 0, 0 ], [ 0, -1.01376, 0 ], [ 0, 0, -1.0016171 ] ]
-34.533515
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00170343 ], [ 0, 0, 0.00170343 ], [ 0, 0, -0.00213274 ], [ 0, 0.00260712, 0 ], [ 0, -0.00260712, 0 ], [ 0, 0.00260712, 0 ], [ 0, -0.00260712, 0 ], [ 0, 0, 0.00213274 ], [ 0, 0, 0.00523306 ], [ 0, 0, -0.00523306 ], [ 0, 0, 0.00262275 ], [ 0, 0, -0.00262275 ] ]
0
5.148357
pbe
true
501be797e33243f96ada3f8e6e7774b1_63_Ca2Zn6Cu2Pt2
[ "Ca", "Dy", "Pm", "Ru" ]
4
ABCD
CaDyPmRu
Ca1 Pm1 Dy1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 5.20863517, 0, 0 ], [ 2.60431758, 4.51081037, 0 ], [ 2.60431758, 1.50360346, 4.2528328 ] ]
agm001913324
[ [ 2.6043175825000002, 1.5036034575, 1.0632082 ], [ 7.8129527475, 4.5108103725, 3.1896246 ], [ 0, 0, 0 ], [ 5.2086351650000005, 3.007206915, 2.1264164 ] ]
[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Ru", "Ca", "Pm", "Dy" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.7005063, 0, 0 ], [ 0, 1.7005063, 0 ], [ 0, 0, 1.7005063 ] ]
-20.297117
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000005
3.166095
pbe
true
ccd3bb08c745dca582fe2c74a54514af_216_Ca1Pm1Dy1Ru1
[ "Ca", "F", "Rb", "Tl" ]
5
A2BCD
Ca2FRbTl
Rb1 Ca2 Tl1 F1
4
[ 1, 1, 1 ]
3
[ [ 7.21380166, 0, 0 ], [ 0, 6.14042035, 0 ], [ 0, 0, 7.21380166 ] ]
agm001522512
[ [ 0, 3.070210175, 0 ], [ 0, 0, 3.60690083 ], [ 3.60690083, 0, 0 ], [ 0, 0, 0 ], [ 3.60690083, 3.070210175, 3.60690083 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Tl", "Ca", "Ca", "Rb", "F" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.10351728, 0, 0 ], [ 0, -0.26448664, 0 ], [ 0, 0, 0.10351728 ] ]
-6.804796
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
5.848072
pbe
true
571092af352ec188894f26f5ffbea089_123_Rb1Ca2Tl1F1
[ "Ca", "Fe", "Sc", "Y" ]
5
A2BCD
CaFeSc2Y
Ca1 Y1 Sc2 Fe1
4
[ 1, 1, 1 ]
3
[ [ 5.01643032, 0, 0 ], [ 0, 5.01643032, 0 ], [ 0, 0, 5.25764227 ] ]
agm001653330
[ [ 0, 0, 2.628821135 ], [ 0, 2.50821516, 0 ], [ 2.50821516, 0, 0 ], [ 2.50821516, 2.50821516, 2.628821135 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Sc", "Sc", "Ca", "Fe" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.9775487, 0, 0 ], [ 0, 1.9775487, 0 ], [ 0, 0, 2.1106882 ] ]
-29.398518
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000064
4.034727
pbe
true
789e8d45cc7e4d09a36f2b9a82a1c317_123_Ca1Y1Sc2Fe1
[ "Ca", "Ga", "O", "Pa" ]
9
A6BCD
CaGaO6Pa
Ca1 Pa1 Ga1 O6
4
[ 1, 1, 1 ]
3
[ [ 4.74367134, 0, 0 ], [ 0, 5.49200677, 0 ], [ 0, -2.74600338, 4.75621738 ] ]
agm005100730
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ca", "Pa", "Ga", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]
[ [ 1.2032467, 0, 0 ], [ 0, 0.8295437, 0 ], [ 0, 0, 0.8295437 ] ]
-65.146397
[ 0, -0.07, -0.017, 0.292, 0.292, 0.292, 0.292, 0.292, 0.292 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00116402, -0.00259972, 0.00130358 ], [ 0.00116402, 0.00017092, -0.00290321 ], [ 0.00116402, 0.00242879, 0.00159963 ], [ -0.00116402, -0.00242879, 0.00159963 ], [ -0.00116402, -0.00017092, -0.00290321 ], [ -0.00116402, 0.00259972, 0.00130358 ] ]
2.023276
4.468064
pbe
true
14073744ea267f6b69de908494ce34a5_149_Ca1Pa1Ga1O6
[ "Ca", "K", "Pa", "Te" ]
8
A4B2CD
CaK2PaTe4
K2 Ca1 Pa1 Te4
4
[ 1, 1, 1 ]
3
[ [ 4.59265003, 0, 0 ], [ 0, 7.93410587, 0.14875484 ], [ 0, -2.77669481, 8.15624618 ] ]
agm004835071
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[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "K", "K", "Ca", "Pa", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.125, 0.5 ]
[ [ 0.8703177, 0, 0 ], [ 0, 0.69848174, 0.00461024 ], [ 0, 0.00461019, 0.76692146 ] ]
-35.779047
[ 0, -0.001, -0.001, 1.059, -0.024, -0.024, -0.018, -0.018 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.0018907, -0.00026036 ], [ 0, -0.0018907, 0.00026036 ], [ 0, 0.00279654, 0.00218334 ], [ 0, -0.00279654, -0.00218334 ] ]
1.000377
5.542998
pbe
true
644f5b14c4d962d4818f916461347280_10_K2Ca1Pa1Te4
[ "Ca", "La", "Mg", "Pm" ]
20
A5B2C2D
CaLa2Mg5Pm2
Ca2 La4 Pm4 Mg10
4
[ 1, 1, 1 ]
3
[ [ 5.14279912, 0, 0 ], [ 0, 10.85481108, 0 ], [ 0, 0, 10.85481108 ] ]
agm005143964
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Ca", "Ca", "La", "La", "La", "La", "Pm", "Pm", "Pm", "Pm", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.5, 0.2 ]
[ [ 0.5955803, 0, 0 ], [ 0, 0.81110585, 0 ], [ 0, 0, 0.81110585 ] ]
-58.75119
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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-0.000904
12.361547
pbe
true
97563906cebd9c5d0d2847fdc67b79e2_127_Ca2La4Pm4Mg10
[ "Ca", "La", "Pr", "Se" ]
12
A6B3C2D
CaLa3Pr2Se6
Ca1 La3 Pr2 Se6
4
[ 1, 1, 1 ]
3
[ [ 4.27216143, 0, 0 ], [ 0, 8.5816824, 0.32929667 ], [ -2.13608072, -2.44954034, 8.99018473 ] ]
agm004607199
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Ca", "La", "La", "La", "Pr", "Pr", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.25, 0.16666666666666666, 0.5 ]
[ [ 0.6575716, 0, 0 ], [ 0, 0.62440264, 0.00372955 ], [ 0, 0.00372964, 0.65282357 ] ]
-70.602242
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00177157, -0.00258003 ], [ 0, 0.00177157, 0.00258003 ], [ 0, -0.00068761, -0.00550824 ], [ 0, 0.00068761, 0.00550824 ], [ 0, -0.00173744, 0.00069086 ], [ 0, 0.00225766, -0.002221 ], [ 0, 0.00173744, -0.00069086 ], [ 0, -0.00010806, 0.00140458 ], [ 0, 0.00010806, -0.00140458 ], [ 0, -0.00225766, 0.002221 ] ]
-0.000437
5.467345
pbe
true
851a0eee87fdc110810550ef7cdee5a6_12_Ca1La3Pr2Se6
[ "Ca", "Mg", "Nd", "Tl" ]
4
ABCD
CaMgNdTl
Ca1 Nd1 Mg1 Tl1
4
[ 1, 1, 1 ]
3
[ [ 5.49982806, 0, 0 ], [ 2.74991403, 4.76299082, 0 ], [ 2.74991403, 1.58766361, 4.49059081 ] ]
agm001392323
[ [ 5.49982806, 3.175327215, 2.245295405 ], [ 0, 0, 0 ], [ 2.74991403, 1.5876636075, 1.1226477025 ], [ 8.24974209, 4.7629908225, 3.3679431074999995 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "Mg", "Tl", "Nd", "Ca" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.0850062, 0, 0 ], [ 0, 2.0850062, 0 ], [ 0, 0, 2.0850062 ] ]
-11.858867
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000006
2.001186
pbe
true
747b80402363db68c09a148b9ae88e03_216_Ca1Nd1Mg1Tl1
[ "Ca", "Mg", "Se", "Tb" ]
8
A4B2CD
Ca2MgSe4Tb
Ca2 Tb1 Mg1 Se4
4
[ 1, 1, 1 ]
3
[ [ 4.08431138, 0, 0 ], [ 0, 7.15686405, 0.12802803 ], [ 0, -2.50034974, 6.66868084 ] ]
agm004824240
[ [ 2.04215569, -1.25017487, 3.33434042 ], [ 0, 2.328257155, 3.3983544350000003 ], [ 2.04215569, 3.578432025, 0.064014015 ], [ 0, 0, 0 ], [ 2.04215569, 1.110496145582366, 1.5796930256160835 ], [ 2.04215569, 3.5460181644176347, 5.2170158443839165 ], [ 0, -0.13593156055578468, 5.090816944433524 ], [ 0, 4.792445870555785, 1.7058919255664766 ] ]
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Ca", "Ca", "Tb", "Mg", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.5, 0.125 ]
[ [ 0.49725765, 0, 0 ], [ 0, 0.37652123, -0.02328471 ], [ 0, -0.02328478, 0.33389974 ] ]
-37.941339
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.0004737, 0.0009962 ], [ 0, -0.0004737, -0.0009962 ], [ 0, -0.0027587, 0.00010948 ], [ 0, 0.0027587, -0.00010948 ] ]
-0.000009
2.561699
pbe
true
2041700690dc0e40aaa6d7d5b48b88d4_10_Ca2Tb1Mg1Se4
[ "Ca", "Mn", "Pd", "Sr" ]
5
A2BCD
CaMn2PdSr
Sr1 Ca1 Mn2 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.873349, 0, 0 ], [ 0, 5.60043152, 0 ], [ 0, 0, 4.873349 ] ]
agm001591501
[ [ 0, 0, 0 ], [ 0, 2.80021576, 0 ], [ 0, 0, 2.4366745 ], [ 2.4366745, 0, 0 ], [ 2.4366745, 2.80021576, 2.4366745 ] ]
[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Ca", "Mn", "Mn", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.0613291, 0, 0 ], [ 0, 2.4129906, 0 ], [ 0, 0, 2.0613291 ] ]
-18.813812
[ -0.224, -0.108, 3.078, 3.862, -0.01 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.637099
3.449888
pbe
true
a163a6ba666ae40e4e42c117ae6f2ab5_123_Sr1Ca1Mn2Pd1
[ "Ca", "Mo", "O", "Tb" ]
20
A6B2CD
Ca2MoO6Tb
Ca4 Tb2 Mo2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.63071206, 0.06318809, -0.02820983 ], [ 0.06517425, 5.85324416, 0.00104341 ], [ 0.00855836, 0.00199542, 8.16906395 ] ]
agm004953096
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Ca", "Ca", "Ca", "Ca", "Tb", "Tb", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.6, 0.1 ]
[ [ 0.49756935, 0.11347118, -0.16537449 ], [ 0.11347108, 0.5489573, -0.00298088 ], [ -0.16537456, -0.00298121, 0.665371 ] ]
-145.501397
[ 0.001, 0.005, 0.001, 0.005, 0.011, 0.015, 0.943, 0.932, 0.022, -0.02, 0.022, -0.02, 0.017, -0.022, 0.017, -0.022, 0.017, 0.016, 0.017, 0.016 ]
[ [ 0.00176259, -0.00016921, -0.00376261 ], [ 0.00264885, 0.00039792, -0.00160718 ], [ -0.00176259, 0.00016921, 0.00376261 ], [ -0.00264885, -0.00039792, 0.00160718 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00379687, -0.00068744, 0.00075303 ], [ -0.00741048, -0.00006778, -0.00138806 ], [ 0.00379687, 0.00068744, -0.00075303 ], [ 0.00741048, 0.00006778, 0.00138806 ], [ 0.00033196, 0.0047276, -0.00201372 ], [ 0.00076362, -0.00446542, 0.00106696 ], [ -0.00033196, -0.0047276, 0.00201372 ], [ -0.00076362, 0.00446542, -0.00106696 ], [ 0.00292435, -0.00161329, -0.00395928 ], [ 0.00179861, 0.00320314, -0.0036266 ], [ -0.00292435, 0.00161329, 0.00395928 ], [ -0.00179861, -0.00320314, 0.0036266 ] ]
2.000001
-0.00082
pbe
true
54b2470eeee91cf12134a6be3301c25f_2_Ca4Tb2Mo2O12
[ "Ca", "N", "Pa", "Sm" ]
12
A6B3C2D
CaN6Pa2Sm3
Ca1 Sm3 Pa2 N6
4
[ 1, 1, 1 ]
3
[ [ 3.56193097, 0, 0 ], [ 0, 7.09599558, 0.22689348 ], [ -1.78096548, -2.0735988, 7.41375311 ] ]
agm004621713
[ [ 1.780965485, 0, 0 ], [ 1.780965485, 3.54799779, 0.11344674 ], [ 1.7809654883464987, -0.21851376944978576, 4.999413134625903 ], [ 1.6535010189656486e-9, 5.240910549449786, 2.641233455374097 ], [ 1.7809654883604795, 3.376260173733815, 5.135270071858103 ], [ 1.6395207880654484e-9, 1.6461366062661853, 2.505376518141897 ], [ 2.113856976606705e-8, 4.970576081970284, 5.139027929901214 ], [ 1.7809637057403274, 3.324298125315311, 2.6582084792605216 ], [ 1.7809654688614303, 0.05182069802971558, 2.5016186600987864 ], [ 0.0000017632949855968817, 1.8016020448725762, 0.2657840927045991 ], [ 1.7809637267050142, 3.220794735127424, 7.3748624972954016 ], [ 0.0000017842596726049372, 1.6980986546846895, 4.982438110739478 ] ]
[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"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"]}]
[ "Ca", "Sm", "Sm", "Sm", "Pa", "Pa", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.5, 0.16666666666666666, 0.25 ]
[ [ 0.10449919, 0, 0 ], [ 0, 0.49720892, 0.14764994 ], [ 0, 0.1476501, 0.20247702 ] ]
-103.447158
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.0022027, 0.00079165 ], [ 0, -0.0022027, -0.00079165 ], [ 0, -0.00389919, 0.00211506 ], [ 0, 0.00389919, -0.00211506 ], [ 0, -0.00115715, 0.0009107 ], [ 0, -0.00177947, 0.00041741 ], [ 0, 0.00115715, -0.0009107 ], [ 0, -0.00094286, 0.00510916 ], [ 0, 0.00094286, -0.00510916 ], [ 0, 0.00177947, -0.00041741 ] ]
-0.000044
5.052354
pbe
true
eeb89b56539b83c0f0eca41af56621c9_12_Ca1Sm3Pa2N6
[ "Ca", "N", "Pu", "Tc" ]
16
A4B2CD
CaN4Pu2Tc
Ca2 Pu4 Tc2 N8
4
[ 1, 1, 1 ]
3
[ [ 3.43826689, 0, 0 ], [ -1.71913345, 5.81833908, 0 ], [ 0, 0, 12.05754948 ] ]
agm004784159
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[ "Ca", "Ca", "Pu", "Pu", "Pu", "Pu", "Tc", "Tc", "N", "N", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
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16.644506
23.23197
pbe
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be208468351ea4dbc7d12ec6c56d8c16_63_Ca2Pu4Tc2N8
[ "Ca", "Nd", "Pm", "Tb" ]
16
A4B2CD
CaNdPm2Tb4
Ca2 Tb8 Pm4 Nd2
4
[ 1, 1, 1 ]
3
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agm004871123
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[ "Ca", "Ca", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Pm", "Pm", "Pm", "Pm", "Nd", "Nd" ]
2023-11-16 06:57:59
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0.062906
37.123146
pbe
true
c4c189f3cfc6a91349cc654521fac923_15_Ca2Tb8Pm4Nd2
[ "Ca", "O", "Ta", "V" ]
20
A6B2CD
Ca2O6TaV
Ca4 Ta2 V2 O12
4
[ 1, 1, 1 ]
3
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agm003226362
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[ "Ca", "Ca", "Ca", "Ca", "Ta", "Ta", "V", "V", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.1, 0.1 ]
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4.000002
0.060372
pbe
true
0a7ae50aaeea8c40abed48e06bfefce6_11_Ca4Ta2V2O12
[ "Cd", "Ce", "Mn", "O" ]
20
A6B2CD
Cd2CeMnO6
Ce2 Mn2 Cd4 O12
4
[ 1, 1, 1 ]
3
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agm004948753
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ce", "Ce", "Mn", "Mn", "Cd", "Cd", "Cd", "Cd", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.1, 0.6 ]
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5.915065
0
pbe
true
1e01ab2adfabde59730d5ce1fd4292b4_14_Ce2Mn2Cd4O12
[ "Cd", "Co", "Ni", "O" ]
8
A4B2CD
CdCo2NiO4
Cd1 Co2 Ni1 O4
4
[ 1, 1, 1 ]
3
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agm004850316
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Cd", "Co", "Co", "Ni", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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8.0092
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pbe
true
58bbe9e7d0cef547ec53658139627f99_42_Cd1Co2Ni1O4