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2014-02-07 17:47:51
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mp-1210945
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2019-04-01 17:49:40
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2022-04-30 15:38:49
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20
A12B5C2D
MgMo2O12Y5
Mg1 Mo2 O12 Y5
4
[ 1, 1, 1 ]
3
[ [ 5.93236407, -0.01270003, 0.00298358 ], [ -2.98041566, 6.19758442, -1.9046379 ], [ 0.00395382, -0.00224248, 7.51658142 ] ]
mp-1233512
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Y", "Y", "Y", "Mg", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-03-27 05:43:08
[ 0.05, 0.1, 0.6, 0.25 ]
[ [ 0.45096849, 0.01448936, 0.08931053 ], [ 0.01448929, -0.32360184, -0.24534525 ], [ 0.08931058, -0.2453452, -0.40125879 ] ]
-163.913927
[ 0.022, 0.02, 0.01, 0, 0.005, 0.002, 2.339, 2.167, 0.029, 0.035, 0.009, 0.017, 0.002, 0.002, 0.002, 0.025, 0.028, 0.026, 0.024, 0.002 ]
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4.766
3.792501
pbe
true
12e2e38366130c74da99152fd2900933_1_Y5Mg1Mo2O12
[ "Mg", "N", "O", "Rb" ]
20
A12B4C3D
Mg3N4O12Rb
Rb1 Mg3 N4 O12
4
[ 1, 1, 1 ]
3
[ [ 6.25498632, 0.19940062, 0.27702192 ], [ -1.31357115, 6.11875357, 0.27702192 ], [ -1.31357115, -1.67954823, 5.89024653 ] ]
agm004707931
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"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"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Rb", "Mg", "Mg", "Mg", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.15, 0.2, 0.6, 0.05 ]
[ [ 0.9426285, 0.18731964, 0.26023814 ], [ 0.18731964, 1.0356355, 0.33274367 ], [ 0.26023814, 0.33274367, 1.258398 ] ]
-117.085749
[ 0.006, 0.01, 0.01, 0.01, 0.304, 0.304, 0.304, 0.414, 0.089, 0.051, 0.051, 0.051, 0.092, 0.092, 0.092, 0.092, 0.092, 0.092, 0.089, 0.089 ]
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3.010148
8.485642
pbe
true
3f8c428351f908e20456af14ace98a81_155_Rb1Mg3N4O12
[ "Mg", "N", "O", "Se" ]
38
A14B2C2D
MgN2O14Se2
Mg2 N4 O28 Se4
4
[ 1, 1, 1 ]
3
[ [ 6.85951253, 0, -3.7784471 ], [ 0, 9.08429865, 0 ], [ -2.00249681, 0, 12.78734592 ] ]
mp-1180913
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"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"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Mg", "Mg", "Se", "Se", "Se", "Se", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-11 10:02:12
[ 0.05263157894736842, 0.10526315789473684, 0.7368421052631579, 0.10526315789473684 ]
[ [ -0.24285718, 0, -0.81337039 ], [ 0, -0.0030489, 0 ], [ -0.81337033, 0, 0.9977587 ] ]
-205.111817
[ 0.007, 0.007, 0.001, 0.001, 0.001, 0.001, 0.002, 0.002, 0.002, 0.002, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.008, 0.008, 0.008, 0.008, 0.005, 0.005, 0.005, 0.005, 0.006, 0.006, 0.006, 0.006, 0.894, 0.894, 0.894, 0.894, 0.704, 0.704, 0.704, 0.704 ]
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6.526
-2.13245
pbe
true
33c7e4153ceff1282b3651e6bf1f65ac_14_Mg2Se4N4O28
[ "Bi", "Fe", "Ti" ]
5
A3BC
BiFeTi3
Ti3 Fe1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 4.55145725, 0, 0 ], [ 0, 4.55145725, 0 ], [ 0, 0, 4.55145725 ] ]
agm002612166
[ [ 0, 2.275728625, 0 ], [ 0, 0, 2.275728625 ], [ 2.275728625, 0, 0 ], [ 2.275728625, 2.275728625, 2.275728625 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Ti", "Ti", "Ti", "Bi", "Fe" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 1.5269974, 0, 0 ], [ 0, 1.5269974, 0 ], [ 0, 0, 1.5269974 ] ]
-35.843061
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
5.355223
pbe
true
e105e17cdef15dbfb61e59533585dc0d_221_Ti3Fe1Bi1
[ "Mg", "N", "O", "Ti" ]
17
A6B6C4D
MgN4O6Ti6
Mg1 N4 O6 Ti6
4
[ 1, 1, 1 ]
3
[ [ 0.00015908, 3.80442563, 0.00011743 ], [ -5.0438894, 1.90202495, 0.12909244 ], [ -0.26135741, 0.00028992, 10.11737118 ] ]
mp-2229395
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"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"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Mg", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O" ]
2022-05-01 02:25:47
[ 0.058823529411764705, 0.23529411764705882, 0.35294117647058826, 0.35294117647058826 ]
[ [ -1.10559833, -0.00371931, 0.00244801 ], [ -0.00371923, -1.11875912, 0.01021873 ], [ 0.00244785, 0.0102187, -0.86710774 ] ]
-149.25997
[ 0, 0, 0.001, -0.003, 0.003, -0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0
6.012846
pbe
true
ae41c1187996452135ba26ba4370e524_8_Mg1Ti6N4O6
[ "Cd", "Os", "Tl" ]
4
A2BC
Cd2OsTl
Cd2 Os1 Tl1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.393726, 3.393726 ], [ 3.393726, 0, 3.393726 ], [ 3.393726, 3.393726, 0 ] ]
oqmd-3330474
[ [ 0, 0, 0 ], [ 5.09059, 5.09059, 5.09059 ], [ 1.6968599999999998, 1.6968599999999998, 1.6968599999999998 ], [ 3.3937199999999996, 3.3937199999999996, 3.3937199999999996 ] ]
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[ "Cd", "Cd", "Os", "Tl" ]
2024-11-01 00:00:00
[ 0.5, 0.25, 0.25 ]
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null
pbe
true
308b29e31b29d6668bd4aef6f6f4e094_216_Tl1Cd2Os1
[ "Mg", "N", "P", "Sb" ]
20
A6B2CD
MgN6P2Sb
Mg2 Sb2 P4 N12
4
[ 1, 1, 1 ]
3
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agm004980596
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[ "Mg", "Mg", "Sb", "Sb", "P", "P", "P", "P", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
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-0.000032
4.745893
pbe
true
78ab2750797f436ea9adbc766f7f57e4_15_Mg2Sb2P4N12
[ "Nb", "Pd", "Ti" ]
4
A2BC
Nb2PdTi
Ti1 Nb2 Pd1
3
[ 1, 1, 1 ]
3
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agm001228978
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[ "Nb", "Nb", "Pd", "Ti" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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-0.000037
4.095151
pbe
true
4ca167cf23a8da9021ea4f97b84772a6_123_Ti1Nb2Pd1
[ "Mg", "Na", "O", "P" ]
52
A16B5C3D2
Mg2Na3O16P5
Mg4 Na6 O32 P10
4
[ 1, 1, 1 ]
3
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mp-555005
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Na", "Na", "Na", "Na", "Na", "Na", "Mg", "Mg", "Mg", "Mg", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-03-07 10:02:31
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[]
-350.228867
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[]
0
1.009349
pbe
true
7a2bdbbabc45e5e5082cef1b5b0673f2_13_Na6Mg4P10O32
[ "Mg", "Na", "O", "P" ]
80
A12B4C3D
Mg4NaO12P3
Mg16 Na4 O48 P12
4
[ 1, 1, 1 ]
3
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mp-560981
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2014-03-07 04:33:52
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[]
-539.309769
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[]
0
2.619839
pbe
true
992c763e28062daac8029b07b37cc2ef_62_Na4Mg16P12O48
[ "Mg", "Na", "O", "P" ]
224
A9B3CD
MgNaO9P3
Mg16 Na16 O144 P48
4
[ 1, 1, 1 ]
3
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mp-1197474
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
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2019-01-12 02:26:39
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2023-11-16 06:57:59
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MgNa6O16S4
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[ "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Mg", "Mg", "S", "S", "S", "S", "S", "S", "S", "S", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-03-06 12:27:00
[ 0.037037037037037035, 0.2222222222222222, 0.5925925925925926, 0.14814814814814814 ]
[]
-310.838482
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[]
0
0.647609
pbe
true
fcd1593afc4f6911bca4b056a849da37_14_Na12Mg2S8O32
[ "Bi", "Fe", "Zn" ]
5
A3BC
Bi3FeZn
Zn1 Fe1 Bi3
3
[ 1, 1, 1 ]
3
[ [ 5.18356655, 0, 0 ], [ 0, 5.18356655, 0 ], [ 0, 0, 5.18356655 ] ]
agm002478884
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[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Bi", "Bi", "Bi", "Fe" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ -5.899877, 0, 0 ], [ 0, -5.899877, 0 ], [ 0, 0, -5.899877 ] ]
-18.83319
[ -0.013, -0.055, -0.062, -0.099, 1.402 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.129764
3.281892
pbe
true
735eba3cf0aaaa41191d16782dedb6d7_221_Zn1Fe1Bi3
[ "Bi", "Ga", "Hf" ]
3
ABC
BiGaHf
Bi1 Ga1 Hf1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.487932, 3.487932 ], [ 3.487932, 0, 3.487932 ], [ 3.487932, 3.487932, 0 ] ]
oqmd-3730017
[ [ 0, 0, 0 ], [ 1.743960000000002, 1.743960000000002, 1.743960000000002 ], [ 5.2319, 5.2319, 5.2319 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}]
[ "Bi", "Ga", "Hf" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.8378, 0, 0 ], [ 0, 4.8378, 0 ], [ 0, 0, 4.8378 ] ]
-15.3415
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.003987
null
pbe
true
15263ab1baf96d6dcd2ffcdd981141ae_216_Hf1Ga1Bi1
[ "Mg", "Na", "O", "V" ]
20
A6B2CD
MgNaO6V2
Na2 Mg2 V4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.91127095, 0.07396395, 0.07675789 ], [ 1.98415651, 7.23292542, -0.14801204 ], [ 1.98415651, -0.4159719, 7.22247084 ] ]
agm004976580
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Na", "Na", "Mg", "Mg", "V", "V", "V", "V", "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 ]
[ [ 1.0221034, 0.051458, 0.05340179 ], [ 0.05145793, 1.0901407, 0.04616346 ], [ 0.05340171, 0.04616346, 1.0935647 ] ]
-136.252104
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[ [ 0, -0.00210907, 0.0020323 ], [ 0, 0.00210907, -0.0020323 ], [ 0, 0.00959174, -0.00924261 ], [ 0, -0.00959174, 0.00924261 ], [ 0.0021524, 0.00136471, 0.00056242 ], [ -0.0021524, -0.00051146, -0.00138462 ], [ -0.0021524, -0.00136471, -0.00056242 ], [ 0.0021524, 0.00051146, 0.00138462 ], [ -0.00225832, 0.00092267, 0.0003128 ], [ 0.00225832, -0.00027839, -0.00093363 ], [ 0.00225832, -0.00092267, -0.0003128 ], [ -0.00225832, 0.00027839, 0.00093363 ], [ -0.00450699, 0.00336399, 0.00037004 ], [ 0.00450699, -0.00024511, -0.0033754 ], [ 0.00450699, -0.00336399, -0.00037004 ], [ -0.00450699, 0.00024511, 0.0033754 ], [ 0.00074206, 0.00040286, 0.00178101 ], [ -0.00074206, -0.00176485, -0.00046859 ], [ -0.00074206, -0.00040286, -0.00178101 ], [ 0.00074206, 0.00176485, 0.00046859 ] ]
2.000002
3.052795
pbe
true
8d5c5ce8473c4954fef02ac553989477_15_Na2Mg2V4O12
[ "Bi", "Ga", "Hf" ]
8
A2BC
BiGaHf2
Hf4 Ga2 Bi2
3
[ 1, 1, 1 ]
3
[ [ 6.08483365, 0, 0 ], [ 0, 6.08483365, 0 ], [ 3.04241682, 3.04241682, 6.88613998 ] ]
agm002831814
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Hf", "Hf", "Hf", "Hf", "Bi", "Bi", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.8210096, 0, 0 ], [ 0, 0.8210096, 0 ], [ 0, 0, 1.0431744 ] ]
-48.041088
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00640816, 0, 0 ], [ -0.00640816, 0, 0 ], [ 0, -0.00640816, 0 ], [ 0, 0.00640816, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.903325
pbe
true
2e92de0fa69e2dcff1cf751950b8f671_122_Hf4Ga2Bi2
[ "Bi", "Ga", "In" ]
4
A2BC
BiGaIn2
In2 Ga1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 4.7681422, 0, 0 ], [ 0, 4.78184089, 0 ], [ 0, 0, 4.78184089 ] ]
agm001206159
[ [ 2.3840711, 2.390920445, 2.390920445 ], [ 2.3840711, 0, 0 ], [ 0, 0, 2.390920445 ], [ 0, 2.390920445, 0 ] ]
[{"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": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Bi", "Ga", "In", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 2.6602502, 0, 0 ], [ 0, 2.493742, 0 ], [ 0, 0, 2.493742 ] ]
-12.202179
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
1.891067
pbe
true
7473351b21605c0804b8ee762c5a3e34_123_In2Ga1Bi1
[ "Bi", "Ga", "N" ]
4
A2BC
BiGaN2
Ga1 Bi1 N2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.00098374, 3.00098374 ], [ 3.00098374, 0, 3.00098374 ], [ 3.00098374, 3.00098374, 0 ] ]
agm002706809
[ [ 3.00098374, 3.00098374, 3.00098374 ], [ 0, 0, 0 ], [ 1.50049187, 1.50049187, 1.50049187 ], [ 4.50147561, 4.50147561, 4.50147561 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Bi", "Ga", "N", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ -1.5886242, 0, 0 ], [ 0, -1.5886242, 0 ], [ 0, 0, -1.5886242 ] ]
-18.52884
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000003
2.36085
pbe
true
fb79188aac3b589f3e3ff1538c3c23b4_225_Ga1Bi1N2
[ "Mg", "Na", "Sm", "Te" ]
12
A3BCD
MgNaSmTe3
Mg1 Na1 Sm1 Te3
4
[ 1, 1, 1 ]
3
[ [ 2.22886885, -7.44082557, 0 ], [ 2.22886885, 7.44082557, 0 ], [ 0, 0, 11.982363704 ] ]
oqmd-8721966
[ [ 2.22887, 0.4108099999999992, 2.99559 ], [ 2.22887, -0.41081000000000106, 8.98677 ], [ 2.22887, -3.85776, 2.99559 ], [ 2.2288699999999997, 3.857759999999998, 8.98677 ], [ 0, 0, 0 ], [ 0, 0, 5.99118 ], [ 2.2288699999999997, 2.0774899999999983, 0.78853 ], [ 2.22887, 6.133369999999998, 2.99559 ], [ 2.2288699999999997, 2.0774899999999983, 5.20265 ], [ 2.22887, -2.0774900000000014, 6.77971 ], [ 2.228870000000001, -6.133370000000001, 8.98677 ], [ 2.22887, -2.0774900000000014, 11.193830000000002 ] ]
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Mg", "Mg", "Na", "Na", "Sm", "Sm", "Te", "Te", "Te", "Te", "Te", "Te" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ 2.4744686, 0, 0 ], [ 0, 1.52749618, 0 ], [ 0, 0, 1.88905796 ] ]
-47.3856
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.004207, 0 ], [ 0, -0.004207, 0 ], [ 0, -0.037873, 0 ], [ 0, 0.037873, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.024289, 0.023646 ], [ 0, 0.000593, 0 ], [ 0, -0.024289, -0.023646 ], [ 0, 0.024289, 0.023646 ], [ 0, -0.000593, 0 ], [ 0, 0.024289, -0.023646 ] ]
0.005661
null
pbe
true
2c98f99d7571f92bcbccc81a79b70f77_63_Na2Sm2Mg2Te6
[ "Nb", "Si", "Ta" ]
4
A2BC
NbSi2Ta
Ta1 Nb1 Si2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.15656902, 3.15656902 ], [ 3.15656902, 0, 3.15656902 ], [ 3.15656902, 3.15656902, 0 ] ]
agm002738100
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[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nb", "Si", "Si", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.1513405, 0, 0 ], [ 0, 4.1513405, 0 ], [ 0, 0, 4.1513405 ] ]
-33.328225
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
3.674686
pbe
true
97739c23ee9871de65b0463946d7b03e_225_Ta1Nb1Si2
[ "Be", "K", "Ru" ]
4
A2BC
BeK2Ru
K2 Be1 Ru1
3
[ 1, 1, 1 ]
3
[ [ 10.27158571, -0.01391694, -0.02608402 ], [ 9.23228039, 4.50229557, 0.02608402 ], [ -9.73828893, -2.30347888, 2.31647593 ] ]
agm004157432
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[ "Ru", "K", "K", "Be" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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0.628277
2.289652
pbe
true
660fe7f5814d943541cf5b9ce19d7140_71_K2Be1Ru1
[ "Nb", "Si", "Tc" ]
3
ABC
NbSiTc
Nb1 Si1 Tc1
3
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3
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oqmd-6407483
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[ "Nb", "Si", "Tc" ]
2024-11-01 00:00:00
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0.001256
null
pbe
true
0654513c7f4d5696b52f670852770db7_107_Nb1Si1Tc1
[ "Mg", "Nb", "Ni", "O" ]
64
A32B30CD
Mg30NbNiO32
Mg30 Nb1 Ni1 O32
4
[ 1, 1, 1 ]
3
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mp-1037074
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
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2018-05-30 08:42:19
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0.491
7.926408
pbe
true
9ac47717040cfebc2410b8206b18288f_123_Mg30Nb1Ni1O32
[ "Mg", "Nb", "O", "Sb" ]
26
A8B2C2D
Mg2Nb2O8Sb
Mg4 Nb4 Sb2 O16
4
[ 1, 1, 1 ]
3
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agm005238205
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
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2023-11-16 06:57:59
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2.047328
7.864852
pbe
true
ae4b5820ec80eb7eb4dc1b6c458e9b0f_15_Mg4Nb4Sb2O16
[ "Nd", "Pa", "Zn" ]
4
A2BC
NdPaZn2
Nd1 Pa1 Zn2
3
[ 1, 1, 1 ]
3
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agm001231957
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[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Zn", "Pa", "Nd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-16.95024
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0.77794
6.191185
pbe
true
af79c912babe83fc9a6aa721d2e5bd6b_123_Nd1Pa1Zn2
[ "Mg", "Nb", "O", "Si" ]
64
A32B30CD
Mg30NbO32Si
Mg30 Nb1 O32 Si1
4
[ 1, 1, 1 ]
3
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mp-1039854
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
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2019-10-23 09:18:45
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2.456
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true
c0533e0e38c5d57df57d94d3dffc74cd_123_Mg30Nb1Si1O32
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8
A4B2CD
Pr2S4SmSr
Sr1 Pr2 Sm1 S4
4
[ 1, 1, 1 ]
3
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agm004829798
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[ "Sr", "Pr", "Pr", "Sm", "S", "S", "S", "S" ]
2023-11-16 06:57:59
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3.065592
pbe
true
835d000562bed4c309e6840eaaa9a1a3_10_Sr1Pr2Sm1S4
[ "Ce", "Dy", "Er" ]
6
ABC
CeDyEr
Ce2 Dy2 Er2
3
[ 1, 1, 1 ]
3
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agm003611078
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[ "Ce", "Ce", "Dy", "Dy", "Er", "Er" ]
2023-11-16 06:57:59
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48fd5094c9397f0387997c1f9ff2779a_11_Ce2Dy2Er2
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4
A2BC
NdRh2Y
Nd1 Y1 Rh2
3
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3
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agm001123819
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[ "Y", "Rh", "Rh", "Nd" ]
2023-11-16 06:57:59
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37c68c6041f767707072ca488035b2a6_123_Nd1Y1Rh2
[ "Be", "K", "S" ]
4
A2BC
BeKS2
K1 Be1 S2
3
[ 1, 1, 1 ]
3
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agm002756177
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[ "Be", "K", "S", "S" ]
2023-11-16 06:57:59
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0
2.489903
pbe
true
84fbac3565467de4cde98ce528464bbc_166_K1Be1S2
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12
A3BCD
HoKPtTe3
Ho1 K1 Pt1 Te3
4
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3
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oqmd-4932023
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2024-11-01 00:00:00
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null
pbe
true
91e67c692a0e08021f246460879cef37_63_K2Ho2Te6Pt2
[ "Nd", "Sc", "Y" ]
4
A2BC
NdScY2
Nd1 Y2 Sc1
3
[ 1, 1, 1 ]
3
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agm001098049
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[ "Y", "Y", "Sc", "Nd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-0.000827
9.84943
pbe
true
049d2d212445e8a43edcb32e313cc341_225_Nd1Y2Sc1
[ "Be", "K", "Sb" ]
4
A2BC
Be2KSb
K1 Be2 Sb1
3
[ 1, 1, 1 ]
3
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agm004412955
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[ "Sb", "K", "Be", "Be" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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-8.750577
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0.000038
2.50854
pbe
true
591236c7d4e1ad85650b7c47518cdb99_12_K1Be2Sb1
[ "Be", "K", "Ta" ]
3
ABC
BeKTa
Be1 K1 Ta1
3
[ 1, 1, 1 ]
3
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oqmd-3485281
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[ "Be", "K", "Ta" ]
2024-11-01 00:00:00
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fdfff08150dcf1e19d9dc1e55d2451c9_216_K1Ta1Be1
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3
ABC
BeKTc
Be1 K1 Tc1
3
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3
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oqmd-3732272
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[ "Be", "K", "Tc" ]
2024-11-01 00:00:00
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2.00012
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pbe
true
16121f79ae55f71312f97cf215a0aacf_216_K1Be1Tc1
[ "Ni", "O", "P" ]
4
A2BC
NiOP2
Ni1 P2 O1
3
[ 1, 1, 1 ]
3
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agm002717167
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[ "Ni", "O", "P", "P" ]
2023-11-16 06:57:59
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1.332412
pbe
true
11616bec53194b24f737a6c7f3e65056_225_Ni1P2O1
[ "Be", "La", "Mn" ]
4
A2BC
Be2LaMn
La1 Mn1 Be2
3
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3
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agm004428312
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[ "Be", "Be", "Mn", "La" ]
2023-11-16 06:57:59
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2.552182
1.97064
pbe
true
cad954a82dadb818c2f5a1126054154a_47_La1Mn1Be2
[ "Cd", "Os", "Y" ]
4
A2BC
Cd2OsY
Y1 Cd2 Os1
3
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3
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agm003821724
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[ "Cd", "Cd", "Os", "Y" ]
2023-11-16 06:57:59
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9f02ca7409aa9b8e76ad9e28f15331e2_119_Y1Cd2Os1
[ "Mg", "Ni", "O", "Si" ]
64
A32B30CD
Mg30NiO32Si
Mg30 Ni1 O32 Si1
4
[ 1, 1, 1 ]
3
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mp-1036956
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2019-10-23 04:16:11
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1.975
7.166703
pbe
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4b75ac52261af353bf5e3db797b31cf6_123_Mg30Si1Ni1O32
[ "Os", "Pr" ]
16
A3B
OsPr3
Os1 Pr3
2
[ 1, 1, 1 ]
3
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oqmd-9692298
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[ "Os", "Os", "Os", "Os", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr" ]
2024-11-01 00:00:00
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0.000392
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pbe
true
36abfff5d447e25fc3c4a95e4e3a67b0_62_Pr12Os4
[ "Mg", "Ni", "O", "Te" ]
60
A18B5C4D3
Mg4Ni5O18Te3
Mg8 Ni10 O36 Te6
4
[ 1, 1, 1 ]
3
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mp-1046508
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
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2017-11-28 09:40:50
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[]
-327.748376
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[]
19.65
4.513348
pbe
true
097ef5cd3574f276d9509ab62a3f5016_15_Mg8Ni10Te6O36
[ "Os", "Pt" ]
6
A2B
Os2Pt
Os4 Pt2
2
[ 1, 1, 1 ]
3
[ [ 1.38437716, -7.18307908, 0 ], [ 1.38437716, 7.18307908, 0 ], [ 0, 0, 4.43623948 ] ]
agm005429043
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[{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Os", "Os", "Os", "Os", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.3333333333333333 ]
[ [ 14.474602, 0, 0 ], [ 0, 14.615058, 0 ], [ 0, 0, 15.071846 ] ]
-56.145579
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-0.000022
5.087762
pbe
true
5c2c6bfadbc508856466d393555df330_63_Os4Pt2
[ "Mg", "Ni", "O", "Ti" ]
41
A24B8C8D
MgNi8O24Ti8
Mg1 Ni8 O24 Ti8
4
[ 1, 1, 1 ]
3
[ [ 4.62300041, 0.09668826, 3.16296281 ], [ 3.46582829, 8.69480837, 6.44356792 ], [ 0.01291643, 0.16222028, 11.00470779 ] ]
mp-2220239
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Mg", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2022-04-30 02:02:20
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-293.041781
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13.894
6.008955
pbe
true
299b1f8ba0fd7b7503f6534dc4186438_1_Mg1Ti8Ni8O24
[ "Os", "Rh" ]
3
A2B
OsRh2
Os1 Rh2
2
[ 1, 1, 1 ]
3
[ [ 2.1633118, -3.74696596, 0 ], [ 2.1633118, 3.74696596, 0 ], [ 0, 0, 2.6634007 ] ]
agm005446466
[ [ 0, 0, 1.33170035 ], [ 2.1633118, 1.2489886783131063, 0 ], [ 2.1633118, -1.2489886783131066, 0 ] ]
[{"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"]}]
[ "Os", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.6666666666666666 ]
[ [ 14.303525, 0, 0 ], [ 0, 14.303525, 0 ], [ 0, 0, 14.506879 ] ]
-25.106742
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000096
3.17439
pbe
true
e7a881151d533fe6106485cdf3d70a77_191_Os1Rh2
[ "Cd", "Os", "Zn" ]
4
A2BC
CdOsZn2
Zn2 Cd1 Os1
3
[ 1, 1, 1 ]
3
[ [ 3.15578335, 0, 0 ], [ 0, 3.15578335, 0 ], [ 0, 0, 6.47697437 ] ]
agm004108109
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Cd", "Os", "Zn", "Zn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 6.862407, 0, 0 ], [ 0, 6.862407, 0 ], [ 0, 0, 7.124033 ] ]
-13.226713
[ 0.002, 0.175, 0.003, 0.004 ]
[ [ 0, 0, -0.00237638 ], [ 0, 0, -0.00448834 ], [ 0, 0, 0.00295798 ], [ 0, 0, 0.00390674 ] ]
0.196466
3.416585
pbe
true
930ce4c8c6f7023682444b2328e42c2f_99_Zn2Cd1Os1
[ "Mg", "Ni", "O", "Y" ]
64
A32B30CD
Mg30NiO32Y
Mg30 Ni1 O32 Y1
4
[ 1, 1, 1 ]
3
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mp-1037774
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2018-05-29 18:55:27
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1.005
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A6B2CD
HoO6PSr2
Sr2 Ho1 P1 O6
4
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agm002303687
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2023-11-16 06:57:59
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4e009c3ade9a4a18594e79ba4f320a7d_225_Sr2Ho1P1O6
[ "Be", "La", "Pb" ]
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A4BC
BeLa4Pb
La4 Be1 Pb1
3
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agm005426536
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[ "La", "La", "La", "La", "Be", "Pb" ]
2023-11-16 06:57:59
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b0d8544bf947b36e7225f07bd3654116_216_La4Be1Pb1
[ "Mg", "Np", "O", "Pm" ]
20
A6B2CD
MgNpO6Pm2
Pm4 Mg2 Np2 O12
4
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agm004968928
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2023-11-16 06:57:59
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6.000001
20.293962
pbe
true
a16dc1091646153e23b2b115dd24d8ab_14_Pm4Mg2Np2O12
[ "Mg", "O", "P", "Sn" ]
30
A10B2C2D
MgO10P2Sn2
Mg2 O20 P4 Sn4
4
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3
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mp-1043442
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2017-12-03 22:53:06
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[]
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[]
0
3.762346
pbe
true
f8282751bf385f85f41c5b4b9c7d9302_43_Mg2Sn4P4O20
[ "Mg", "O", "P", "Sn" ]
56
A9B2C2D
MgO9P2Sn2
Mg4 O36 P8 Sn8
4
[ 1, 1, 1 ]
3
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mp-1049302
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2017-12-06 18:51:50
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[]
-371.255743
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[]
0
3.316867
pbe
true
53af12a67ae4ff77902e53b37b3d68e1_62_Mg4Sn8P8O36
[ "Mg", "O", "P", "Ti" ]
36
A12B4CD
MgO12P4Ti
Mg2 O24 P8 Ti2
4
[ 1, 1, 1 ]
3
[ [ 6.88943137, -0.00923348, -2.48590672 ], [ -3.01450208, 6.57500713, -1.12552772 ], [ 0.0668874, 0.03035006, 9.99170033 ] ]
mp-1045598
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[ "Mg", "Mg", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2017-11-26 18:50:10
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[]
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[]
3.391
6.174971
pbe
true
7600627e332b8b41e191dc511e22ee77_1_Mg2Ti2P8O24
[ "Ni", "O", "Ta" ]
4
A2BC
Ni2OTa
Ta1 Ni2 O1
3
[ 1, 1, 1 ]
3
[ [ 0, 2.88319413, 2.88319413 ], [ 2.88319413, 0, 2.88319413 ], [ 2.88319413, 2.88319413, 0 ] ]
agm002716579
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[ "Ni", "Ni", "O", "Ta" ]
2023-11-16 06:57:59
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0.000049
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pbe
true
ab618707fbf2482dd566a966eb6b9210_225_Ta1Ni2O1
[ "Os", "Rh" ]
6
A5B
OsRh5
Os1 Rh5
2
[ 1, 1, 1 ]
3
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agm003198402
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[ "Os", "Rh", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
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0.000007
8.237927
pbe
true
52e94ea71fc24835963b7f02a593099f_189_Os1Rh5
[ "Ni", "O", "Ta" ]
4
A2BC
NiO2Ta
Ta1 Ni1 O2
3
[ 1, 1, 1 ]
3
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agm002717437
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[ "Ni", "O", "O", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-0.000001
2.813339
pbe
true
7a7a64d9d0ca9129f28037248cb4bb6d_225_Ta1Ni1O2
[ "Ni", "O", "Te" ]
4
A2BC
NiO2Te
Ni1 Te1 O2
3
[ 1, 1, 1 ]
3
[ [ 0, 2.82637556, 2.82637556 ], [ 2.82637556, 0, 2.82637556 ], [ 2.82637556, 2.82637556, 0 ] ]
agm002718627
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[ "Ni", "Te", "O", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-0.000013
0.86843
pbe
true
77bcc5953e6b7f64b40886919e32ae6b_225_Ni1Te1O2
[ "Be", "La", "Pr" ]
4
A2BC
BeLaPr2
La1 Pr2 Be1
3
[ 1, 1, 1 ]
3
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agm002008434
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[ "Pr", "Pr", "Be", "La" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-15.401618
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[ [ 0, 0, -0.00292342 ], [ 0, 0, 0.00292342 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000068
4.77983
pbe
true
b55dcdccebedc078a75775b784a603fa_166_La1Pr2Be1
[ "Ni", "Os", "Rh" ]
4
A2BC
NiOsRh2
Ni1 Os1 Rh2
3
[ 1, 1, 1 ]
3
[ [ 4.56156051, 0, 0 ], [ 0, 4.56156051, 0 ], [ 0, 0, 2.68414083 ] ]
agm004295990
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[ "Ni", "Os", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-30.410281
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1.279151
5.529348
pbe
true
592792992383a7077a265d92552bbc51_123_Ni1Os1Rh2
[ "Al", "H", "Rh" ]
8
A2BC
AlH2Rh
Al2 H4 Rh2
3
[ 1, 1, 1 ]
3
[ [ 3.99266798, 0, 0 ], [ 0, 3.99266798, 0 ], [ 1.99633399, 1.99633399, 4.52173826 ] ]
agm002839452
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[ "H", "H", "H", "H", "Rh", "Rh", "Al", "Al" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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0
0.013129
pbe
true
ad4d172c8ff23dc9d2eb652b79f29df7_122_Al2H4Rh2
[ "Al", "H", "S" ]
4
A2BC
AlHS2
Al1 H1 S2
3
[ 1, 1, 1 ]
3
[ [ 1.62688909, 0, 7.6647984 ], [ -0.81344455, 1.40892728, 7.6647984 ], [ -0.81344455, -1.40892728, 7.6647984 ] ]
agm002766632
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "H", "S", "S", "Al" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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0
1.466319
pbe
true
a22ad52a438acead54a497f85767a62a_166_Al1H1S2
[ "Mg", "O", "Pu", "Tl" ]
20
A6B2CD
MgO6PuTl2
Pu2 Mg2 Tl4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.86347697, 0.0000022, -0.02044681 ], [ 0.00000221, 5.86346198, 0.00000156 ], [ 0.02825714, 0.00000219, 8.34868933 ] ]
agm004935502
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"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": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Pu", "Pu", "Mg", "Mg", "Tl", "Tl", "Tl", "Tl", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.1, 0.2 ]
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-135.731245
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1.44907
10.609362
pbe
true
c82a21c33cb6eb94e3864e997205c828_12_Pu2Mg2Tl4O12
[ "Be", "Mg", "Ru" ]
4
A2BC
Be2MgRu
Mg1 Be2 Ru1
3
[ 1, 1, 1 ]
3
[ [ 2.8940563, 0, 0 ], [ 0, 2.8940563, 0 ], [ 0, 0, 6.0312792 ] ]
agm004290292
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[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Ru", "Mg", "Be", "Be" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.98768955, 0, 0 ], [ 0, 0.98768955, 0 ], [ 0, 0, 1.3236275 ] ]
-18.100734
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00448384 ], [ 0, 0, -0.00144067 ], [ 0, 0, 0.00190874 ], [ 0, 0, 0.00401577 ] ]
0.000223
3.09693
pbe
true
7347b2e411be47c65b15f82e5f61db7c_99_Mg1Be2Ru1
[ "Be", "Mg", "Ta" ]
4
A2BC
Be2MgTa
Mg1 Ta1 Be2
3
[ 1, 1, 1 ]
3
[ [ 5.11968057, 0.00582885, -1e-8 ], [ 2.63090165, 4.39198356, -1e-8 ], [ -3.87528838, -2.19890466, 2.52153153 ] ]
agm004181744
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[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Be", "Be", "Mg", "Ta" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 1.2931358, 0.31115538, 8.1e-7 ], [ 0.31115538, 0.92131907, 4.6e-7 ], [ 8.1e-7, 4.6e-7, 0.7447675 ] ]
-18.9322
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000089
4.208211
pbe
true
d7a10f83850b8360d3a9e77a7e993ae4_119_Mg1Ta1Be2
[ "Mg", "O", "Rb", "Se" ]
23
A14B4C4D
MgO14Rb4Se4
Rb4 Mg1 Se4 O14
4
[ 1, 1, 1 ]
3
[ [ 3.98745023, 7.28821623, 0.25098149 ], [ -3.98745023, 7.28821623, 0.25098149 ], [ 0, 1.19568527, 8.30460085 ] ]
agm005236980
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"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"]}]
[ "Rb", "Rb", "Rb", "Rb", "Mg", "Se", "Se", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.043478260869565216, 0.6086956521739131, 0.17391304347826086, 0.17391304347826086 ]
[ [ 0.5096698, 0, 0 ], [ 0, 0.76047415, 0.31878832 ], [ 0, 0.31878832, 0.9510346 ] ]
-115.822653
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0
2.717447
pbe
true
5ba2cce26d210f3cd4ce1538e6f61d94_5_Rb4Mg1Se4O14
[ "Mg", "O", "Rb", "Se" ]
23
A14B4C4D
MgO14Rb4Se4
Rb4 Mg1 Se4 O14
4
[ 1, 1, 1 ]
3
[ [ 8.61446218, 0.17053472, -0.03686336 ], [ -3.68861833, 6.95279998, -0.08736055 ], [ -0.15163526, -0.6750134, 7.75585833 ] ]
agm005288148
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"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"]}]
[ "Rb", "Rb", "Rb", "Rb", "Mg", "Se", "Se", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.043478260869565216, 0.6086956521739131, 0.17391304347826086, 0.17391304347826086 ]
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-117.888214
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0.138944
0
pbe
true
ae5650f01d522426527f14f349325431_1_Rb4Mg1Se4O14
[ "Mg", "O", "Rb", "Ti" ]
20
A6B2CD
MgO6RbTi2
Rb2 Mg2 Ti4 O12
4
[ 1, 1, 1 ]
3
[ [ 6.3816916, -0.13477512, -0.13986615 ], [ 1.88561839, 7.36852025, -1.105485 ], [ 1.88561839, -1.37781239, 7.32248734 ] ]
agm004974768
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"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"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Rb", "Rb", "Mg", "Mg", "Ti", "Ti", "Ti", "Ti", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.1, 0.2 ]
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pbe
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d65995683e555f8e880e5076a8d0f57e_15_Rb2Mg2Ti4O12
[ "Mg", "O", "Rb", "Ti" ]
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A32B30CD
Mg30O32RbTi
Mg30 O32 Rb1 Ti1
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mp-1098349
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"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": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
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2018-05-28 12:59:46
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0.885
7.185205
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f7078c83219b4a2b3bc935045499ba15_123_Rb1Mg30Ti1O32
[ "Ni", "Pr", "Si" ]
64
A15B10C7
Ni7Pr15Si10
Pr30 Si20 Ni14
3
[ 1, 1, 1 ]
3
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agm003283166
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2023-11-16 06:57:59
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0.019104
62.03088
pbe
true
571a1e5b31280077eb34b32b91d41103_176_Pr30Si20Ni14
[ "Mg", "O", "Rb", "Y" ]
16
A8B6CD
Mg6O8RbY
Rb1 Y1 Mg6 O8
4
[ 1, 1, 1 ]
3
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agm005262616
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2023-11-16 06:57:59
[ 0.375, 0.5, 0.0625, 0.0625 ]
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0
2.308282
pbe
true
2928030b00835c9755fac214b9181a15_123_Rb1Y1Mg6O8
[ "Mg", "O", "Re", "Y" ]
45
A28B14C2D
MgO28Re2Y14
Mg1 O28 Re2 Y14
4
[ 1, 1, 1 ]
3
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mp-1234556
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2022-04-30 02:11:59
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1.814
3.749247
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true
1f935c5a75a51482f552aa2ed9f1df9b_1_Y14Mg1Re2O28
[ "Ni", "Pr", "Sn" ]
12
ABC
NiPrSn
Ni4 Pr4 Sn4
3
[ 1, 1, 1 ]
3
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mp-22164
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[ "Pr", "Pr", "Pr", "Pr", "Ni", "Ni", "Ni", "Ni", "Sn", "Sn", "Sn", "Sn" ]
2018-07-18 13:40:21
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0
6.395551
pbe
true
ad77d723c5feea3acebbd099c65d74bf_62_Pr4Ni4Sn4
[ "Ni", "Re", "Sc" ]
4
A2BC
Ni2ReSc
Sc1 Re1 Ni2
3
[ 1, 1, 1 ]
3
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agm002734496
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[ "Sc", "Re", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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1.280466
6.220131
pbe
true
e16d310aea794802beeb11d9de3e55ab_225_Sc1Re1Ni2
[ "Mn", "Os", "Rh" ]
4
A2BC
Mn2OsRh
Mn2 Os1 Rh1
3
[ 1, 1, 1 ]
3
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agm004297077
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[ "Mn", "Mn", "Os", "Rh" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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7.032497
2.07953
pbe
true
d4cae91d966d3ed9cb0a440200fcf468_123_Mn2Os1Rh1
[ "Ce", "Dy", "Pt" ]
4
A2BC
CeDyPt2
Ce1 Dy1 Pt2
3
[ 1, 1, 1 ]
3
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agm002369448
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[ "Ce", "Pt", "Pt", "Dy" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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0.543975
6.59063
pbe
true
3550e1d33fa3252d595357e12038d386_166_Ce1Dy1Pt2
[ "Ce", "Dy", "Pu" ]
4
A2BC
CeDyPu2
Ce1 Dy1 Pu2
3
[ 1, 1, 1 ]
3
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agm001201648
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[ "Dy", "Ce", "Pu", "Pu" ]
2023-11-16 06:57:59
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12.477901
11.594665
pbe
true
eac5e9cfe4ebe2a8a9dacd7244b8af34_123_Ce1Dy1Pu2
[ "Mg", "O", "Sb", "Sm" ]
41
A24B10C6D
MgO24Sb10Sm6
Mg1 O24 Sb10 Sm6
4
[ 1, 1, 1 ]
3
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mp-1234711
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Mg", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-03-27 05:57:38
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0
6.184935
pbe
true
9e71413d07a47e1e23cd60eb2dc748e4_217_Sm6Mg1Sb10O24
[ "Mg", "O", "Sc", "Si" ]
23
A14B4C4D
MgO14Sc4Si4
Mg1 Sc4 Si4 O14
4
[ 1, 1, 1 ]
3
[ [ -3.11304461, 3.932212, 5.09957931 ], [ 3.11304461, -3.932212, 5.09957931 ], [ 3.11304461, 3.932212, -5.09957931 ] ]
agm005245376
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Mg", "Sc", "Sc", "Sc", "Sc", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.043478260869565216, 0.6086956521739131, 0.17391304347826086, 0.17391304347826086 ]
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-179.627287
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1.108374
4.775101
pbe
true
30e8f53fb2bc019f733ffa46eb47bcda_44_Mg1Sc4Si4O14
[ "Mg", "O", "Se", "Tl" ]
20
A12B4C3D
Mg3O12Se4Tl
Mg3 Tl1 Se4 O12
4
[ 1, 1, 1 ]
3
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agm004707447
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Mg", "Mg", "Tl", "Se", "Se", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.15, 0.6, 0.2, 0.05 ]
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-99.944778
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0.787898
8.448663
pbe
true
c34850d8b4e6a06bcdb7bcd8bcd77b8d_155_Mg3Tl1Se4O12
[ "Mg", "O", "Se", "Zn" ]
32
ABCD
MgOSeZn
Mg1 O1 Se1 Zn1
4
[ 1, 1, 1 ]
3
[ [ 7.88627, 0, 0 ], [ 0, 8.568388, 0 ], [ 0, 0, 7.531733 ] ]
oqmd-3459752
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "O", "O", "O", "O", "O", "O", "O", "O", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 31.82013, -0.00027, 0.00003 ], [ -0.00027, 6.78845, 0.00009 ], [ 0.00003, 0.00009, 27.25588 ] ]
-130.177
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[ [ -0.005911, -0.000693, 0.001354 ], [ -0.005903, 0.000728, -0.001355 ], [ 0.005903, -0.000728, 0.001355 ], [ 0.005911, 0.000693, -0.001354 ], [ -0.005911, -0.000693, -0.00098 ], [ 0.005903, -0.000728, -0.00098 ], [ -0.005903, 0.000728, 0.00098 ], [ 0.005911, 0.000693, 0.00098 ], [ -0.008431, 0.003804, -0.005849 ], [ -0.00843, -0.003786, 0.005286 ], [ 0.00843, 0.003786, -0.005286 ], [ 0.008431, -0.003804, 0.005849 ], [ -0.00845, -0.003784, 0.001452 ], [ 0.008451, -0.003801, 0.000528 ], [ -0.008451, 0.003801, -0.000528 ], [ 0.00845, 0.003784, -0.001452 ], [ 0.001864, -0.002114, 0.003275 ], [ -0.002631, -0.0004, 0.003286 ], [ -0.000893, -0.003326, -0.003276 ], [ 0.000136, -0.001609, -0.003282 ], [ 0.000893, 0.003326, 0.003276 ], [ -0.000136, 0.001609, 0.003282 ], [ -0.001864, 0.002114, -0.003275 ], [ 0.002631, 0.0004, -0.003286 ], [ -0.017485, 0.007727, 0.004161 ], [ 0.017934, 0.007783, 0.004363 ], [ -0.016728, 0.007729, -0.004315 ], [ 0.017178, 0.007784, -0.004062 ], [ -0.017178, -0.007784, 0.004062 ], [ 0.016728, -0.007729, 0.004315 ], [ -0.017934, -0.007783, -0.004363 ], [ 0.017485, -0.007727, -0.004161 ] ]
null
null
pbe
true
7d047d09f8af870e9bc29dcec68c7dcf_64_Mg8Zn8Se8O8
[ "Mg", "O", "Si", "Sn" ]
20
A6B2CD
MgO6Si2Sn
Mg2 O12 Si4 Sn2
4
[ 1, 1, 1 ]
3
[ [ 5.36582708, 0.1574522, 1.27548025 ], [ 1.50562229, 7.11526038, 0.66478919 ], [ 0.13737736, -0.02106864, 7.3018115 ] ]
mp-1046947
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Si", "Si", "Si", "Si", "Sn", "Sn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-10-22 22:05:34
[ 0.1, 0.6, 0.2, 0.1 ]
[ [ 2.99678451, 0.24660188, 0.17040677 ], [ 0.24660234, 3.02823239, -0.40951681 ], [ 0.17040726, -0.40951691, 3.05118223 ] ]
-140.757531
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00438316, 0.02286117, -0.02126165 ], [ -0.00438316, -0.02286117, 0.02126165 ], [ -0.01349458, -0.0290427, 0.00436671 ], [ 0.00629789, -0.00849296, 0.0305427 ], [ -0.00629789, 0.00849296, -0.0305427 ], [ 0.01349458, 0.0290427, -0.00436671 ], [ 0.00351622, 0.01833947, -0.01705631 ], [ -0.00351622, -0.01833947, 0.01705631 ], [ -0.0202517, -0.00207797, -0.02424203 ], [ 0.02359588, 0.01952014, 0.00802024 ], [ 0.0202517, 0.00207797, 0.02424203 ], [ -0.02359588, -0.01952014, -0.00802024 ], [ 0.00320428, 0.01352906, -0.02361342 ], [ 0.00407579, 0.02444146, -0.01170042 ], [ -0.00320428, -0.01352906, 0.02361342 ], [ -0.00407579, -0.02444146, 0.01170042 ], [ -0.01970231, 0.01228759, -0.00386844 ], [ 0.02214371, 0.00044598, -0.0079742 ], [ -0.02214371, -0.00044598, 0.0079742 ], [ 0.01970231, -0.01228759, 0.00386844 ] ]
0
3.59738
pbe
true
f91d342e490438490784b7ef15cae8e8_15_Mg2Si4Sn2O12
[ "Cd", "Th", "Tm" ]
4
A2BC
CdThTm2
Tm2 Th1 Cd1
3
[ 1, 1, 1 ]
3
[ [ 3.58367304, 0, 0 ], [ 0, 3.58367304, 0 ], [ 0, 0, 8.76694837 ] ]
agm001126754
[ [ 0, 0, 6.766005410511989 ], [ 0, 0, 2.0009429594880106 ], [ 1.79183652, 1.79183652, 4.383474185 ], [ 1.79183652, 1.79183652, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Tm", "Tm", "Th", "Cd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.2240288, 0, 0 ], [ 0, 1.2240288, 0 ], [ 0, 0, 1.6953136 ] ]
-17.917837
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00193591 ], [ 0, 0, -0.00193591 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.00001
5.452274
pbe
true
c58280f5a9883dbc06cf66c8986fa4fc_123_Tm2Th1Cd1
[ "Cd", "Th", "Y" ]
4
A2BC
CdTh2Y
Y1 Th2 Cd1
3
[ 1, 1, 1 ]
3
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2023-11-16 06:57:59
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f521720aa0c43a733850aff96c995e1b_123_Y1Th2Cd1
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A3BC
Be3NTe
Be3 Te1 N1
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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d2c74ddb0288a38f2be1027364b2eae3_216_Be1Ni1Pb1
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A32B30CD
Mg30O32SnZn
Mg30 Zn1 Sn1 O32
4
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2023-11-16 06:57:59
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b5949321e9ec850d34924734428401d1_123_Mg30Zn1Sn1O32
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14
A5BC
GeTaTe5
Ta2 Ge2 Te10
3
[ 1, 1, 1 ]
3
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agm2000141757
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2023-11-16 06:57:59
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b5b3623da7e72b4cbef8221d23d1101b_51_Ta2Ge2Te10
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20
A12B4C3D
Mg3O12SrV4
Sr1 Mg3 V4 O12
4
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3
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2023-11-16 06:57:59
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1ebbc885e7150cc79fa056537025b53a_155_Sr1Mg3V4O12
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BeNiPu
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3
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[ "Ni", "Be", "Pu" ]
2023-11-16 06:57:59
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Mg4Os
Mg4 Os1
2
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[ "Mg", "Mg", "Mg", "Mg", "Os" ]
2023-11-16 06:57:59
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pbe
true
5c9f51a0225c590b4db1b276e132fc9a_139_Mg4Os1
[ "Be", "Ni", "Re" ]
4
A2BC
BeNi2Re
Be1 Re1 Ni2
3
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3
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agm002644326
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[ "Re", "Be", "Ni", "Ni" ]
2023-11-16 06:57:59
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0.000001
3.77234
pbe
true
2282b51335723c5885e2e06f6159aaec_225_Be1Re1Ni2
[ "Mg", "O", "Tc", "Te" ]
12
ABCD
MgOTcTe
Mg3 Tc3 Te3 O3
4
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3
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agm002117388
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2023-11-16 06:57:59
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0.001119
6.216543
pbe
true
8de114eb673a899abcaf07d063331655_160_Mg3Tc3Te3O3
[ "Mg", "O", "Tc", "Tl" ]
10
A6B2CD
MgO6TcTl2
Mg1 Tl2 Tc1 O6
4
[ 1, 1, 1 ]
3
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agm004964420
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[ "Mg", "Tl", "Tl", "Tc", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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0
2.819542
pbe
true
1ebf9abf28d4383104905caf383d7894_164_Mg1Tl2Tc1O6
[ "Ge", "Se", "Sn" ]
8
A2BC
GeSe2Sn
Sn2 Ge2 Se4
3
[ 1, 1, 1 ]
3
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agm002834061
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[ "Ge", "Ge", "Sn", "Sn", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-31.754675
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0
0.180947
pbe
true
4f62451de68603bad94e09ddd74585b2_122_Sn2Ge2Se4
[ "Mg", "O", "Ti", "Y" ]
64
A32B30CD
Mg30O32TiY
Mg30 O32 Ti1 Y1
4
[ 1, 1, 1 ]
3
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mp-1037674
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Ti", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2018-05-29 19:30:14
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-389.961011
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2.059
8.95619
pbe
true
b09aa53485c8a1d912c9ad078831ce55_123_Y1Mg30Ti1O32
[ "Ge", "Si", "Tb" ]
10
A2B2C
Ge2SiTb2
Tb4 Si2 Ge4
3
[ 1, 1, 1 ]
3
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agm003402730
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[ "Tb", "Tb", "Tb", "Tb", "Si", "Si", "Ge", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
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-54.392147
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-0.000009
4.612083
pbe
true
47975a6f316a158f4fe5545f53fc2838_12_Tb4Si2Ge4
[ "Mg", "O", "Tm", "W" ]
20
A12B6CD
MgO12Tm6W
Mg1 O12 Tm6 W1
4
[ 1, 1, 1 ]
3
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mp-2230879
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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Mg", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2022-05-01 03:22:26
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