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CdPRe2
Cd1 Re2 P1
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2023-11-16 06:57:59
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CdPRh2
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2023-11-16 06:57:59
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10
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Br6CsRb2Tl
Cs1 Rb2 Tl1 Br6
4
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3
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[ "Cs", "Rb", "Rb", "Tl", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
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491b5f544f63470875b9e243ce02ca58_225_Cs1Rb2Tl1Br6
[ "K", "Li", "O", "Pu" ]
20
A12B4C3D
KLi4O12Pu3
K1 Li4 Pu3 O12
4
[ 1, 1, 1 ]
3
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2023-11-16 06:57:59
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5
A2BCD
CCe2HgY
Ce2 Y1 Hg1 C1
4
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3
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agm004988746
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2023-11-16 06:57:59
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2d77c399ed594fb61c2c6bc879f382ba_123_Ce2Y1Hg1C1
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ABC
CdPaSb
Pa1 Cd1 Sb1
3
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3
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2023-11-16 06:57:59
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Ga3Hg3In5
In5 Ga3 Hg3
3
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2023-11-16 06:57:59
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A2BC
BaTe2Tl
Ba1 Tl1 Te2
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2023-11-16 06:57:59
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[ "K", "Li", "Sb", "Sb", "Pb" ]
2023-11-16 06:57:59
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A2BC
BaTlW2
Ba2 Tl2 W4
3
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3
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2023-11-16 06:57:59
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12
A4BC
Ga4IrSr
Sr2 Ga8 Ir2
3
[ 1, 1, 1 ]
3
[ [ 4.12307387, 0, 0 ], [ 0, 7.34230457, 0 ], [ 0, 0, 7.92291793 ] ]
agm002151260
[ [ 0, 2.794220687798902, 1.9807294825 ], [ 0, 4.548083882201097, 5.9421884474999995 ], [ 0, 5.970216322825312, 1.9807294825 ], [ 0, 1.372088247174688, 5.9421884474999995 ], [ 0, 0, 0 ], [ 2.061536935, 2.249858408980726, 4.498157267119842 ], [ 2.061536935, 0.3801147053181393, 1.9807294825 ], [ 0, 0, 3.961458965 ], [ 2.061536935, 6.96218986468186, 5.9421884474999995 ], [ 2.061536935, 2.249858408980726, 7.386219627880158 ], [ 2.061536935, 5.092446161019274, 0.5366983021198414 ], [ 2.061536935, 5.092446161019274, 3.424760662880159 ] ]
[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sr", "Sr", "Ir", "Ir", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]
[ [ -0.36857495, 0, 0 ], [ 0, -1.0613049, 0 ], [ 0, 0, 2.550264 ] ]
-51.146349
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.01184467, 0 ], [ 0, 0.01184467, 0 ], [ 0, -0.0417991, 0 ], [ 0, 0.0417991, 0 ], [ 0, 0, 0 ], [ 0, -0.02783586, -0.0250582 ], [ 0, 0.0390761, 0 ], [ 0, 0, 0 ], [ 0, -0.0390761, 0 ], [ 0, -0.02783586, 0.0250582 ], [ 0, 0.02783586, -0.0250582 ], [ 0, 0.02783586, 0.0250582 ] ]
0
3.082114
pbe
true
1428d2f62b9a89b90d7cd19bdab14372_51_Sr2Ga8Ir2
[ "K", "Li", "Se", "Zn" ]
5
A2BCD
KLiSe2Zn
K1 Li1 Zn1 Se2
4
[ 1, 1, 1 ]
3
[ [ 4.14519643, 0, 0 ], [ 0, 4.14519643, 0 ], [ -2.07259822, -2.07259822, 6.97630867 ] ]
agm002158023
[ [ -2.4999999848063226e-9, 2.0725982125, 3.488154335 ], [ 0, 0, 0 ], [ 1.7172636514463457e-8, 1.7172636514463457e-8, 4.95784735264653 ], [ 2.072598192827364, 2.072598192827364, 2.018461317353469 ], [ 2.0725982125, -2.4999999848063226e-9, 3.488154335 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "K", "Se", "Se", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.080567, 0, 0 ], [ 0, 1.080567, 0 ], [ 0, 0, 1.2836893 ] ]
-16.625271
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00069469 ], [ 0, 0, 0.00069469 ], [ 0, 0, 0 ] ]
0
0
pbe
true
678ec9ab67e0c6266b2d83175be20ace_119_K1Li1Zn1Se2
[ "K", "Li", "Se", "Zr" ]
12
A3BCD
KLiSe3Zr
K1 Li1 Se3 Zr1
4
[ 1, 1, 1 ]
3
[ [ 1.980773517, -7.310688053, 0 ], [ 1.980773517, 7.310688053, 0 ], [ 0, 0, 10.421298134 ] ]
oqmd-7408135
[ [ 1.9807699999999997, 3.7742999999999993, 2.60532 ], [ 1.9807699999999997, -3.7743000000000007, 7.81597 ], [ 1.9807699999999997, -6.75891, 2.60532 ], [ 1.9807699999999997, 6.758909999999998, 7.81597 ], [ 1.9807699999999997, -5.496340000000001, 0.49606 ], [ 1.9807699999999997, -0.8896099999999999, 2.60532 ], [ 1.9807699999999997, -5.496340000000001, 4.71459 ], [ 1.9807699999999997, 5.496339999999999, 5.70671 ], [ 1.9807699999999997, 0.8896099999999988, 7.81597 ], [ 1.9807699999999997, 5.496339999999999, 9.92523 ], [ 1.9807699999999997, -7.447738076134581e-16, 0 ], [ 1.9807699999999997, -7.447738076134581e-16, 5.21065 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "K", "K", "Li", "Li", "Se", "Se", "Se", "Se", "Se", "Se", "Zr", "Zr" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 5.78260401, 0, 0 ], [ 0, 4.37948929, 0 ], [ 0, 0, 6.41382921 ] ]
-60.0999
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.01227, 0 ], [ 0, 0.01227, 0 ], [ 0, -0.006763, 0 ], [ 0, 0.006763, 0 ], [ 0, 0.008041, -0.012284 ], [ 0, 0.012131, 0 ], [ 0, 0.008041, 0.012284 ], [ 0, -0.008041, -0.012284 ], [ 0, -0.012131, 0 ], [ 0, -0.008041, 0.012284 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.003359
null
pbe
true
6e11f8f928b32ed2c8ce50c4fca80e47_63_K2Li2Zr2Se6
[ "Ga", "K", "Pd" ]
4
A2BC
GaK2Pd
K2 Ga1 Pd1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.94255543, 3.94255543 ], [ 3.94255543, 0, 3.94255543 ], [ 3.94255543, 3.94255543, 0 ] ]
agm002687168
[ [ 1.971277715, 1.971277715, 1.971277715 ], [ 5.913833145, 5.913833145, 5.913833145 ], [ 0, 0, 0 ], [ 3.94255543, 3.94255543, 3.94255543 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "K", "K", "Ga", "Pd" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.7252297, 0, 0 ], [ 0, 2.7252297, 0 ], [ 0, 0, 2.7252297 ] ]
-9.315106
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.462802
pbe
true
7e5821fea95fe6d295a0dd4d2ddb9f9c_225_K2Ga1Pd1
[ "K", "Li", "Te", "Th" ]
12
A3BCD
KLiTe3Th
K1 Li1 Te3 Th1
4
[ 1, 1, 1 ]
3
[ [ 2.29104073, -7.642140784, 0 ], [ 2.29104073, 7.642140784, 0 ], [ 0, 0, 11.902923774 ] ]
oqmd-8992825
[ [ 2.29104, 3.8699400000000006, 2.97573 ], [ 2.29104, -3.8699400000000006, 8.92719 ], [ 2.2910399999999997, -7.14015, 2.97573 ], [ 2.2910399999999997, 7.14015, 8.92719 ], [ 2.29104, -5.599030000000001, 0.68751 ], [ 2.29104, -1.04981, 2.97573 ], [ 2.29104, -5.599030000000001, 5.26395 ], [ 2.29104, 5.599030000000001, 6.63897 ], [ 2.29104, 1.0498099999999997, 8.92719 ], [ 2.29104, 5.599030000000001, 11.21541 ], [ 2.29104, -5.4513190662942616e-17, 0 ], [ 2.29104, -5.4513190662942616e-17, 5.95146 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"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": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]
[ "K", "K", "Li", "Li", "Te", "Te", "Te", "Te", "Te", "Te", "Th", "Th" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 1.9715817, 0, 0 ], [ 0, 3.36795707, 0 ], [ 0, 0, 2.70340777 ] ]
-54.0924
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.014118, 0 ], [ 0, 0.014118, 0 ], [ 0, -0.002414, 0 ], [ 0, 0.002414, 0 ], [ 0, -0.056647, -0.004814 ], [ 0, 0.03372, 0 ], [ 0, -0.056647, 0.004814 ], [ 0, 0.056647, -0.004814 ], [ 0, -0.03372, 0 ], [ 0, 0.056647, 0.004814 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.007242
null
pbe
true
b7f487dd933b67c93d0619671313ca56_63_K2Li2Th2Te6
[ "Ga", "Li", "Pm" ]
4
A2BC
Ga2LiPm
Li1 Pm1 Ga2
3
[ 1, 1, 1 ]
3
[ [ 4.90834516, 0, 0 ], [ 2.45417258, 4.2507516, 0 ], [ 2.45417258, 1.4169172, 4.00764704 ] ]
agm002342331
[ [ 7.3625177399999995, 4.2507516, 3.00573528 ], [ 0, 0, 0 ], [ 4.90834516, 2.8338344, 2.00382352 ], [ 2.45417258, 1.4169172, 1.00191176 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Li", "Ga", "Ga", "Pm" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.8221173, 0, 0 ], [ 0, 4.8221173, 0 ], [ 0, 0, 4.8221173 ] ]
-14.508524
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0.661848
pbe
true
4c57a2871d64d30f13d481f1d1a0dad7_225_Li1Pm1Ga2
[ "Ga", "Mn", "Tl" ]
4
A2BC
Ga2MnTl
Mn1 Tl1 Ga2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.29942054, 3.29942054 ], [ 3.29942054, 0, 3.29942054 ], [ 3.29942054, 3.29942054, 0 ] ]
agm002701543
[ [ 3.29942054, 3.29942054, 3.29942054 ], [ 0, 0, 0 ], [ 1.64971027, 1.64971027, 1.64971027 ], [ 4.94913081, 4.94913081, 4.94913081 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Tl", "Mn", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 5.8214965, 0, 0 ], [ 0, 5.8214965, 0 ], [ 0, 0, 5.8214965 ] ]
-14.591015
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000084
4.071076
pbe
true
7f6af5e40b5e87ede4bd1060a1ecd7da_225_Mn1Tl1Ga2
[ "Nd", "Pm", "Pr", "Tl" ]
4
ABCD
NdPmPrTl
Pm1 Pr1 Nd1 Tl1
4
[ 1, 1, 1 ]
3
[ [ 5.02029723, 0, 0 ], [ 0, 4.9735336, 0 ], [ 0, 0, 4.99843948 ] ]
agm005189115
[ [ 2.510148615, 0, 2.49921974 ], [ 0, 2.4867668, 2.49921974 ], [ 0, 0, 0 ], [ 2.510148615, 2.4867668, 0 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pr", "Nd", "Tl" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.3543819, 0, 0 ], [ 0, 1.2531973, 0 ], [ 0, 0, 1.2071371 ] ]
-17.482142
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.001327
7.150227
pbe
true
239ae7fcd581510440a51f23329bac48_47_Pm1Pr1Nd1Tl1
[ "Ba", "V", "Y" ]
8
A2BC
BaV2Y
Ba2 Y2 V4
3
[ 1, 1, 1 ]
3
[ [ 8.42814955, 0, 0 ], [ 0, 8.42814955, 0 ], [ 4.21407477, 4.21407477, 3.22738159 ] ]
agm002900717
[ [ 4.214074775, 4.214074775, 0 ], [ 4.2140747725, 8.4281495475, 1.613690795 ], [ 0, 0, 0 ], [ 8.4281495475, 4.2140747725, 1.613690795 ], [ 6.1859890335305625, 2.10703738625, 0.8068453975 ], [ 2.242160513969438, 6.32111216125, 0.8068453975 ], [ 6.32111215875, 6.456235286469438, 2.4205361924999997 ], [ 10.535186933750001, 10.400063806030563, 2.4205361924999997 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Ba", "Ba", "V", "V", "V", "V" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.2655003, 0, 0 ], [ 0, 1.2655003, 0 ], [ 0, 0, 1.3544408 ] ]
-43.546769
[ 0.214, 0.214, 0.096, 0.096, 2.719, 2.719, 2.719, 2.719 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00289706, 0, 0 ], [ -0.00289706, 0, 0 ], [ 0, -0.00289706, 0 ], [ 0, 0.00289706, 0 ] ]
14.10318
13.000475
pbe
true
66928020c442b4931ac6cec1f380c6be_122_Ba2Y2V4
[ "K", "Lu", "Te", "Zn" ]
24
A3BCD
KLuTe3Zn
K1 Lu1 Te3 Zn1
4
[ 1, 1, 1 ]
3
[ [ 4.37027, 0, 0 ], [ -0.000001, 11.605137, 0 ], [ -0.000022, -0.000113, 15.15038 ] ]
oqmd-4727142
[ [ 3.2777100000000012, 2.650770000000006, 0.05543999999999995 ], [ 3.277690000000002, 8.453140000000001, 7.519710000000003 ], [ 1.0925200000000004, 3.1517800000000022, 7.630579999999999 ], [ 1.0925200000000013, 8.954270000000003, 15.095020000000003 ], [ 3.27771, 5.62458, 3.704430000000004 ], [ 3.2776899999999993, 11.42714, 3.870920000000004 ], [ 1.0925600000000013, 0.17797000000000013, 11.279430000000009 ], [ 1.0925600000000004, 5.980499999999995, 11.446000000000003 ], [ 1.092569999999998, 4.955499999999995, 1.705819999999998 ], [ 1.092560000000001, 0.49586000000000063, 1.8714200000000056 ], [ 3.2776999999999994, 8.556769999999998, 2.706320000000007 ], [ 3.2777, 2.7541800000000034, 4.8688799999999945 ], [ 1.092549999999998, 6.298179999999995, 5.704040000000003 ], [ 1.092580000000001, 10.758150000000002, 5.869519999999993 ], [ 3.27769, 0.84694, 9.280979999999994 ], [ 3.2777000000000016, 5.306630000000004, 9.44637 ], [ 1.0925599999999982, 8.850880000000005, 10.281319999999994 ], [ 1.0925499999999986, 3.0483700000000056, 12.444160000000007 ], [ 3.2776799999999997, 11.109030000000006, 13.278969999999996 ], [ 3.2776900000000015, 6.649469999999998, 13.444409999999994 ], [ 1.0925700000000005, 2.782880000000006, 3.2271699999999957 ], [ 1.0925599999999989, 8.585390000000002, 4.3482300000000045 ], [ 3.277680000000001, 3.019690000000005, 10.802400000000002 ], [ 3.2776900000000024, 8.822199999999997, 11.923010000000003 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "K", "K", "K", "K", "Lu", "Lu", "Lu", "Lu", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Zn", "Zn", "Zn", "Zn" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 2.86758, 0.00006, 0.00052 ], [ 0.00006, 2.46209, 0.0031 ], [ 0.00052, 0.0031, 13.66842 ] ]
-90.2206
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.000027, 0.011821, 0.006393 ], [ 0.000115, 0.012256, -0.006744 ], [ -0.000088, -0.012219, 0.006501 ], [ 0.000101, -0.012125, -0.006654 ], [ -0.000021, 0.009827, 0.010274 ], [ 0.000025, 0.009792, -0.010492 ], [ -0.00005, -0.010086, 0.011139 ], [ 0.000023, -0.009906, -0.011188 ], [ -0.000007, 0.016139, 0.016288 ], [ 0.000008, 0.023757, -0.010362 ], [ -0.00003, -0.011252, 0.017615 ], [ 0.000009, -0.011068, -0.016302 ], [ 0.000054, 0.025218, 0.009308 ], [ -0.000085, 0.01516, -0.016425 ], [ -0.000026, -0.015163, 0.016243 ], [ -0.000052, -0.024418, -0.009409 ], [ -0.000029, 0.011049, 0.016606 ], [ -0.000001, 0.010706, -0.017036 ], [ 0.000034, -0.023338, 0.010269 ], [ -0.000007, -0.015479, -0.015693 ], [ -0.000016, -0.008132, 0.01049 ], [ 0.000009, -0.008458, -0.010298 ], [ 0.000002, 0.008122, 0.009749 ], [ 0.000004, 0.007795, -0.010273 ] ]
0.015779
null
pbe
true
cd12a69826a0de7b3fa796bc1cd28b4b_62_K4Lu4Zn4Te12
[ "Ba", "W", "Zr" ]
3
ABC
BaWZr
Ba1 Zr1 W1
3
[ 1, 1, 1 ]
3
[ [ 8.76012495, 0.0480697, -0.03665201 ], [ 7.99491965, 3.08966872, -0.07730952 ], [ 0.76520611, -0.84440258, 2.92232091 ] ]
agm004057786
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Ba", "W", "Zr" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.081736, 0.18745378, -0.14292786 ], [ 0.18745378, 3.40447, 0.00210516 ], [ -0.14292786, 0.00210516, 3.4056249 ] ]
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0.000003
4.332252
pbe
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bdaedce9c1c5ff225234257887554c9c_42_Ba1Zr1W1
[ "K", "Mg", "N", "O" ]
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A12B4C3D
KMg3N4O12
K1 Mg3 N4 O12
4
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3
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agm004708259
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[ "K", "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
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3.009811
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ad65281609794daf2855e971a93186bf_155_K1Mg3N4O12
[ "K", "Mg", "Na", "O" ]
63
A31B30CD
KMg30NaO31
K1 Mg30 Na1 O31
4
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mp-1040385
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[{"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": "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"]}]
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2017-06-01 17:42:13
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[]
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[]
0
3.987864
pbe
true
cf86d95e3235d7a546ecb4a9e2fbc40a_25_K1Na1Mg30O31
[ "K", "Mg", "Nb", "O" ]
6
A3BCD
KMgNbO3
K1 Mg1 Nb1 O3
4
[ 1, 1, 1 ]
3
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mp-2226449
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[ "K", "Mg", "Nb", "O", "O", "O" ]
2022-05-20 03:43:16
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-36.565412
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0.004
5.305061
pbe
true
37a565b238cb73cd251063a6feab5665_25_K1Mg1Nb1O3
[ "C", "Co", "Li", "O" ]
21
A12B4C3D2
C4Co2Li3O12
Li3 Co2 C4 O12
4
[ 1, 1, 1 ]
3
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agm005255659
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2023-11-16 06:57:59
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6.983856
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pbe
true
56df563084d35258879e9eb6bf67b551_1_Li3Co2C4O12
[ "Ga", "Rh", "U" ]
4
A2BC
GaRh2U
U1 Ga1 Rh2
3
[ 1, 1, 1 ]
3
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agm001136996
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[ "Rh", "Rh", "U", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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0.907147
3.848036
pbe
true
b6a7a99721853ce69590ac4cdb92bf48_123_U1Ga1Rh2
[ "K", "Mg", "O", "P" ]
80
A12B4C3D
KMg4O12P3
K4 Mg16 O48 P12
4
[ 1, 1, 1 ]
3
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mp-557844
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2014-03-07 01:08:15
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e4f114b8479acb959d4406f32b683341_58_K4Mg16P12O48
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20
A12B4C3D
KMg3O12S4
K1 Mg3 S4 O12
4
[ 1, 1, 1 ]
3
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agm004707614
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2023-11-16 06:57:59
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2ff6a94fce87f42c3385e244e37ebd4e_155_K1Mg3S4O12
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A2BC
GdGe2Nd
Nd1 Gd1 Ge2
3
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agm001809396
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2023-11-16 06:57:59
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A2BCD
CFe2NpSi
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agm005008254
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2023-11-16 06:57:59
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5.081115
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370ff0ce1406417bdd077dfa65bb8063_63_Np2Fe4Si2C2
[ "K", "Mg", "O", "Si" ]
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A30B12C5D2
K2Mg5O30Si12
K4 Mg10 O60 Si24
4
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mp-1224161
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2019-01-13 00:27:01
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-720.137481
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8
A4B2CD
NdPmSc2Se4
Pm1 Nd1 Sc2 Se4
4
[ 1, 1, 1 ]
3
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agm004823670
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[ "Pm", "Nd", "Sc", "Sc", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
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4.389367
pbe
true
d406e7f85751f69f01b2d684ed15f1db_10_Pm1Nd1Sc2Se4
[ "Nd", "Pm", "Sm", "Tm" ]
9
A4B2C2D
Nd2Pm4Sm2Tm
Pm4 Nd2 Sm2 Tm1
4
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3
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agm004561482
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[ "Pm", "Pm", "Pm", "Pm", "Nd", "Nd", "Sm", "Sm", "Tm" ]
2023-11-16 06:57:59
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-0.000027
11.625014
pbe
true
187a1db673df8661a2b93f3d356cbedf_12_Pm4Nd2Sm2Tm1
[ "Nd", "Tb", "Tl", "Tm" ]
12
A2B2CD
NdTb2Tl2Tm
Tb4 Nd2 Tm2 Tl4
4
[ 1, 1, 1 ]
3
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agm004740480
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[ "Tb", "Tb", "Tb", "Tb", "Nd", "Nd", "Tm", "Tm", "Tl", "Tl", "Tl", "Tl" ]
2023-11-16 06:57:59
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12.240561
pbe
true
bb41fe8188b1c399ffa378154dec06c9_26_Tb4Nd2Tm2Tl4
[ "K", "Mg", "P", "Se" ]
22
A6B2C2D
K2MgP2Se6
K4 Mg2 P4 Se12
4
[ 1, 1, 1 ]
3
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agm003228559
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2023-11-16 06:57:59
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c7acf054168fa998e0e58cb9c1669605_12_K4Mg2P4Se12
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12
A3BCD
KMgS3Sm
K1 Mg1 S3 Sm1
4
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3
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oqmd-8697270
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[ "K", "K", "Mg", "Mg", "S", "S", "S", "S", "S", "S", "Sm", "Sm" ]
2024-11-01 00:00:00
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null
pbe
true
486adc8a205dbe27c4db97159c7b7f4a_63_K2Sm2Mg2S6
[ "Cd", "Cr", "Re" ]
3
ABC
CdCrRe
Cr1 Cd1 Re1
3
[ 1, 1, 1 ]
3
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agm004367155
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[ "Cd", "Cr", "Re" ]
2023-11-16 06:57:59
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-1.160036
2.590095
pbe
true
97a00c65df6608c97928d0866dac1244_216_Cr1Cd1Re1
[ "Cl", "K", "Li", "Mn" ]
20
A12B4C3D
Cl12KLi3Mn4
K1 Li3 Mn4 Cl12
4
[ 1, 1, 1 ]
3
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agm004708888
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2023-11-16 06:57:59
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32bc4bcf4f2b295efc4712d2cc0af2d1_155_K1Li3Mn4Cl12
[ "Co", "H", "I", "O" ]
42
A10B8C2D
CoH8I2O10
Co2 H16 I4 O20
4
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3
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agm003248543
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2023-11-16 06:57:59
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3dcea615f88b25130f6fa47a96738fb1_14_Co2H16I4O20
[ "K", "Mn", "N", "Pa" ]
20
A12B4C3D
KMn4N12Pa3
K1 Pa3 Mn4 N12
4
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3
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agm004709024
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "K", "Pa", "Pa", "Pa", "Mn", "Mn", "Mn", "Mn", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.05, 0.2, 0.6, 0.15 ]
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-174.347232
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7.851167
6.368074
pbe
true
47b5fb8a03347bf9d4389d36b308a6b1_155_K1Pa3Mn4N12
[ "Co", "H", "Na", "Rb" ]
10
A6B2CD
CoH6NaRb2
Rb2 Na1 Co1 H6
4
[ 1, 1, 1 ]
3
[ [ 5.75385667, 0, 0 ], [ 2.87692833, 4.98298604, 0 ], [ 2.87692833, 1.66099535, 4.69800429 ] ]
agm004965041
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Na", "Co", "H", "H", "H", "H", "H", "H" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.1, 0.2 ]
[ [ 6.702293, 0, 0 ], [ 0, 6.702293, 0 ], [ 0, 0, 6.702293 ] ]
-32.298522
[ 0, 0, 0, -0.165, 0.002, 0.002, 0.002, 0.002, 0.002, 0.002 ]
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-0.142968
-0.034732
pbe
true
b443d3b15ec8053efe63117830ef1c9c_225_Rb2Na1Co1H6
[ "Cd", "Cu", "Rh" ]
4
A2BC
CdCu2Rh
Cd1 Cu2 Rh1
3
[ 1, 1, 1 ]
3
[ [ 4.1336513, 0, 0 ], [ 0, 2.78344946, -0.06664859 ], [ 0, 1.51540303, 5.06200158 ] ]
agm004128418
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Cd", "Cu", "Cu", "Rh" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ -3.177619, 0, 0 ], [ 0, -4.284657, -0.02168043 ], [ 0, -0.02167978, -4.3258452 ] ]
-16.171753
[ 0, 0, 0, 0 ]
[ [ 0, 0.00033841, -0.00751369 ], [ 0, 0.0075593, 0.03220561 ], [ 0, -0.015838, -0.02122924 ], [ 0, 0.00794029, -0.00346268 ] ]
0.000003
3.509591
pbe
true
84f3ba1134e79533603144465786e091_6_Cd1Cu2Rh1
[ "Co", "Li", "O", "P" ]
28
A4BCD
CoLiO4P
Li4 Co4 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 5.05553708, 0.02697023, -0.01255797 ], [ -1.71740512, 4.75498341, 0.01255802 ], [ -0.4710992, 0.32875779, 15.9394294 ] ]
agm003235328
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Co", "Co", "Co", "Co", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]
[ [ 0.69821525, 0.17260626, -0.00344413 ], [ 0.17260626, 0.824991, 0.00240143 ], [ -0.00343807, 0.00239719, 0.43472067 ] ]
-184.230633
[ 0, 0, 0, 0, 2.725, 2.725, 2.725, 2.725, 0.011, 0.011, 0.011, 0.011, 0.036, 0.036, 0.036, 0.036, 0.036, 0.036, 0.036, 0.036, 0.038, 0.038, 0.038, 0.038, 0.074, 0.074, 0.074, 0.074 ]
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12.009357
0
pbe
true
818ca41a07bce30e5c1305bd70cf380f_15_Li4Co4P4O16
[ "K", "Mn", "O", "Se" ]
20
A12B4C3D
KMn3O12Se4
K1 Mn3 Se4 O12
4
[ 1, 1, 1 ]
3
[ [ 7.18577479, -0.27358816, -0.38008866 ], [ -1.99689258, 6.90815676, -0.38008866 ], [ -1.99689258, -2.55325141, 6.4302414 ] ]
agm004707470
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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": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "K", "Mn", "Mn", "Mn", "Se", "Se", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.05, 0.15, 0.6, 0.2 ]
[ [ 1.1746848, 0.06191228, 0.08601306 ], [ 0.06191228, 1.205425, 0.10997735 ], [ 0.08601306, 0.10997735, 1.2790518 ] ]
-114.076113
[ -0.001, 4.047, 4.047, 4.047, -0.008, -0.008, -0.008, -0.289, -0.232, -0.252, -0.252, -0.252, -0.021, -0.021, -0.021, -0.021, -0.021, -0.021, -0.232, -0.232 ]
[ [ 0, 0, 0 ], [ -0.00145042, 0.00113437, 0 ], [ 0.00145042, 0.00036008, -0.00107571 ], [ 0, -0.00149445, 0.00107571 ], [ -0.0035404, 0.00276894, 0 ], [ 0.0035404, 0.00087893, -0.00262574 ], [ 0, -0.00364787, 0.00262574 ], [ 0, 0, 0 ], [ 0, 0.0000134, -0.00000965 ], [ 0.00171142, 0.00042487, -0.00126928 ], [ -0.00171142, 0.0013385, 0 ], [ 0, -0.00176337, 0.00126928 ], [ -0.00051579, -0.00006722, -0.00025123 ], [ -0.00008624, -0.00055286, -0.00014349 ], [ 0.00005904, -0.0000742, -0.00056981 ], [ 0.00051579, 0.0002169, 0.00014349 ], [ -0.00005904, 0.00051679, 0.00025123 ], [ 0.00008624, -0.00003942, 0.00056981 ], [ -0.00001301, -0.00000323, 0.00000965 ], [ 0.00001301, -0.00001017, 0 ] ]
10.292489
5.180969
pbe
true
6d661acf7e88838b68f40a15e9f456ca_155_K1Mn3Se4O12
[ "K", "Mn", "O", "Sn" ]
52
A8B3CD
KMnO8Sn3
K4 Mn4 O32 Sn12
4
[ 1, 1, 1 ]
3
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mp-1298569
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2020-04-30 00:02:20
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38
A12B4C2D
K2MnO12V4
K4 Mn2 V8 O24
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2023-11-16 06:57:59
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CoLiO4P
Li8 Co8 P8 O32
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2023-11-16 06:57:59
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24.01013
0
pbe
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e7f553d468c6f7140e879dfa3a3b5813_29_Li8Co8P8O32
[ "Cs", "Cu", "I", "Np" ]
10
A6B2CD
Cs2CuI6Np
Cs2 Np1 Cu1 I6
4
[ 1, 1, 1 ]
3
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agm004930060
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[ "Cs", "Cs", "Np", "Cu", "I", "I", "I", "I", "I", "I" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.6, 0.1 ]
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4
5.585269
pbe
true
d722b381acb41fe93207f1ddf427b556_164_Cs2Np1Cu1I6
[ "Cs", "K", "Na", "Rb" ]
5
A2BCD
CsK2NaRb
Cs1 K2 Rb1 Na1
4
[ 1, 1, 1 ]
3
[ [ 4.57687754, 0, 0 ], [ 0, 7.76089481, 0 ], [ -2.28843877, -3.8804474, 10.69310878 ] ]
agm004998918
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[ "Cs", "K", "K", "Rb", "Na" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.48486224, 0, 0 ], [ 0, 0.39463493, 0 ], [ 0, 0, 0.4378082 ] ]
-5.058059
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0
3.869995
pbe
true
af4e69900036cd08d39c2f013aeade74_44_Cs1K2Rb1Na1
[ "Li", "Ru", "Tl" ]
4
A2BC
LiRuTl2
Li1 Tl2 Ru1
3
[ 1, 1, 1 ]
3
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agm004371843
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[ "Li", "Ru", "Tl", "Tl" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-14.778874
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0.000001
2.024438
pbe
true
f623edf256aecde6db331e2b994ff1ae_99_Li1Tl2Ru1
[ "Cu", "Ga", "O", "Se" ]
64
A10B3C2D
CuGa2O10Se3
Ga8 Cu4 Se12 O40
4
[ 1, 1, 1 ]
3
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agm003276981
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2023-11-16 06:57:59
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4.00498
2.174609
pbe
true
2a76fbf53c0e8095ce427cc852c32441_53_Ga8Cu4Se12O40
[ "Cd", "Cu", "Rh" ]
4
A2BC
CdCuRh2
Cd1 Cu1 Rh2
3
[ 1, 1, 1 ]
3
[ [ 4.79808384, 0.00099649, 0.00333476 ], [ -2.33888928, 4.82416919, -0.00668521 ], [ 0.12029973, 0.78822948, 2.63782297 ] ]
agm003868046
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[ "Cd", "Cu", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-19.221394
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0.001998
4.723573
pbe
true
42996a1230cc51cbdc19e2f540fe683b_12_Cd1Cu1Rh2
[ "Gd", "Ge", "Pb" ]
4
A2BC
GdGePb2
Gd1 Ge1 Pb2
3
[ 1, 1, 1 ]
3
[ [ 4.90034498, 0, 0 ], [ 0, 4.65339649, 0 ], [ 0, 0, 4.65339649 ] ]
agm001207842
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[ "Pb", "Pb", "Ge", "Gd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 2.9192808, 0, 0 ], [ 0, 2.9266949, 0 ], [ 0, 0, 2.9266949 ] ]
-27.329436
[ -0.014, -0.014, -0.038, 6.905 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.850804
2.489883
pbe
true
40ddc79b333487379768e1a6db9b7036_123_Gd1Ge1Pb2
[ "Eu", "Nd", "O", "W" ]
10
A6B2CD
Eu2NdO6W
Nd1 Eu2 W1 O6
4
[ 1, 1, 1 ]
3
[ [ 6.0534606, 0, 0 ], [ 3.0267303, 5.24245066, 0 ], [ 3.0267303, 1.74748355, 4.94262988 ] ]
agm002299349
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[ "Eu", "Eu", "Nd", "O", "O", "O", "O", "O", "O", "W" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.6, 0.1 ]
[ [ 0.74582607, 0, 0 ], [ 0, 0.74582607, 0 ], [ 0, 0, 0.74582607 ] ]
-87.992979
[ 6.895, 6.895, 0.081, -0.043, -0.04, -0.04, -0.055, -0.043, -0.055, 0.927 ]
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15.000004
3.205846
pbe
true
0d200e2bec65bff55590fc62f7881751_225_Nd1Eu2W1O6
[ "Cd", "F", "Ni" ]
10
A2B2C
Cd2F2Ni
Cd4 Ni2 F4
3
[ 1, 1, 1 ]
3
[ [ 7.01099477, 0, 0 ], [ 0, 7.01099477, 0 ], [ 0, 0, 2.94651283 ] ]
agm002975174
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Ni", "Ni", "F", "F", "F", "F", "Cd", "Cd", "Cd", "Cd" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
[ [ -0.9046442, 0, 0 ], [ 0, -0.9046442, 0 ], [ 0, 0, 4.813251 ] ]
-21.437259
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0.000002
5.375544
pbe
true
1941d05a5a7a20a021e055ccd505f424_127_Cd4Ni2F4
[ "H", "Pd", "Sr", "Zn" ]
10
A2BCD
HPd2SrZn
Sr2 Zn2 H2 Pd4
4
[ 1, 1, 1 ]
3
[ [ 4.12341482, 0, 0 ], [ -2.06170741, 5.62643987, 0 ], [ 0, 0, 7.3317929 ] ]
agm005009065
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[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Sr", "Sr", "Zn", "Zn", "H", "H", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-38.929245
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0.000003
3.926823
pbe
true
4081d2f70ee2c73472fa316faef06dfb_63_Sr2Zn2H2Pd4
[ "Ni", "O", "Pb", "Se" ]
11
A6B2C2D
NiO6Pb2Se2
Ni1 Pb2 Se2 O6
4
[ 1, 1, 1 ]
3
[ [ 6.46645277, 0, 0 ], [ -3.23322638, 5.50713346, 0.47181075 ], [ 0, -2.70587715, 5.08792435 ] ]
agm004576910
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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": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Ni", "Pb", "Pb", "Se", "Se", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.5454545454545454, 0.18181818181818182, 0.18181818181818182 ]
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-55.116511
[ 0.008, 0.002, 0.002, -0.002, -0.002, 0.004, -0.005, -0.005, -0.005, -0.005, 0.004 ]
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-0.004547
1.468236
pbe
true
75d943dff389e48d90b0800c8f4e0ecc_12_Ni1Pb2Se2O6
[ "Ni", "Pr", "Si", "Sm" ]
11
A4B4C2D
Ni4Pr2Si4Sm
Ni4 Pr2 Si4 Sm1
4
[ 1, 1, 1 ]
3
[ [ -2.026421628, 2.029153471, 11.697845711 ], [ 2.026421628, -2.029153471, 11.697845711 ], [ 2.026421628, 2.029153471, -11.697845711 ] ]
oqmd-6139071
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[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Ni", "Ni", "Ni", "Ni", "Pr", "Pr", "Si", "Si", "Si", "Si", "Sm" ]
2024-11-01 00:00:00
[ 0.3636363636363637, 0.18181818181818185, 0.3636363636363637, 0.09090909090909093 ]
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-66.5992
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0.008171
null
pbe
true
3d23fc27636c4ea73b7a09800a6e75c6_71_Pr2Sm1Si4Ni4
[ "K", "Mo", "Ni", "O" ]
52
A8B2C2D
K2Mo2NiO8
K8 Mo8 Ni4 O32
4
[ 1, 1, 1 ]
3
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mp-554864
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2014-02-18 18:59:53
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[]
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4
A2BC
LiSb2Se
Li1 Sb2 Se1
3
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3
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agm002693732
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[ "Sb", "Sb", "Se", "Li" ]
2023-11-16 06:57:59
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74c8f57091373d954ed02ede30e0ffe7_225_Li1Sb2Se1
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A13B3C2D
KMo2O13P3
K2 Mo4 O26 P6
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mp-558283
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2014-03-04 10:35:03
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[]
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mp-18497
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2014-03-04 05:21:35
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[]
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pbe
true
f0b390c9b67850f8ae450f9b90a6cef7_14_K4Mo4P8O28
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A8B2CD
KMoO8P2
K4 Mo4 O32 P8
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mp-541350
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2014-02-14 20:52:51
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5
A3BC
BeBi3Rb
Rb1 Be1 Bi3
3
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3
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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78b30dab71a62bc9646d74ce58df1ed5_12_Li2Ta2Se6
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Be2BrCu
Be2 Cu1 Br1
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2023-11-16 06:57:59
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6d3500e4e4ee54eaeaa336a4fc1f874c_12_Be2Cu1Br1
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A8B2CD
KMo2O8Tm
K2 Tm2 Mo4 O16
4
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2023-11-16 06:57:59
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6db80c3d37cf56f8680adaf3a0f85ed4_15_K2Tm2Mo4O16
[ "K", "Mo", "O", "U" ]
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A21B6C4D2
K6Mo4O21U2
K6 Mo4 O21 U2
4
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mp-558070
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2014-06-05 04:43:42
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[]
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A10B2C2D
K2MoO10U2
K8 Mo4 O40 U8
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mp-704306
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2013-12-13 00:12:11
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2014-02-23 05:02:56
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2023-11-16 06:57:59
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mp-1197690
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2019-01-12 07:58:27
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mp-1019784
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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K2N2P3Pa4
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2023-11-16 06:57:59
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3ea1eeac6d612428d56dc14f4da788be_139_K2Pa4P3N2
[ "K", "N", "P", "Pu" ]
20
A6B2CD
KN6P2Pu
K2 Pu2 P4 N12
4
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3
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2023-11-16 06:57:59
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c1d1a726cc1194e02df72a88a3495fc6_15_K2Pu2P4N12
[ "K", "Na", "Ni", "O" ]
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A4B2C2D
KNa2Ni2O4
K4 Na8 Ni8 O16
4
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2023-11-16 06:57:59
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11.999998
1.365637
pbe
true
f6ff77c57bc2758fb8fbae1f7978859f_14_K4Na8Ni8O16
[ "Ir", "La", "Li", "Pb" ]
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A2BCD
IrLa2LiPb
Li2 La4 Ir2 Pb2
4
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[ "Li", "Li", "La", "La", "La", "La", "Ir", "Ir", "Pb", "Pb" ]
2023-11-16 06:57:59
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0.000002
6.437872
pbe
true
aedbfad173b28994f125fd1f99f57691_11_Li2La4Ir2Pb2
[ "Li", "Si", "Te" ]
4
A2BC
Li2SiTe
Li2 Si1 Te1
3
[ 1, 1, 1 ]
3
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agm003192705
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[ "Si", "Te", "Li", "Li" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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0
1.795057
pbe
true
1a76421ce00b5fcfae6d32cc10cc9f77_123_Li2Si1Te1
[ "Li", "Sm", "Tl" ]
3
ABC
LiSmTl
Li1 Sm1 Tl1
3
[ 1, 1, 1 ]
3
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agm001269939
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[ "Tl", "Sm", "Li" ]
2023-11-16 06:57:59
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0.030702
1.994087
pbe
true
9fc9a9985a1c4c34c0d5bb2a18e855fd_187_Li1Sm1Tl1
[ "K", "Na", "O", "Se" ]
14
A8B3C2D
K3NaO8Se2
K3 Na1 O8 Se2
4
[ 1, 1, 1 ]
3
[ [ 5.98156373, 0, 0 ], [ -2.99078187, 5.18018615, 0 ], [ 0, 0, 7.66845555 ] ]
mp-8696
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[ "O", "O", "O", "O", "O", "O", "O", "O", "Na", "K", "K", "K", "Se", "Se" ]
2011-05-30 11:31:58
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-70.793528
[]
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null
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pbe
true
1b57c0ffa9bfa4299fb9e277b5646877_164_K3Na1Se2O8
[ "Li", "Ta", "Zr" ]
4
A2BC
LiTaZr2
Li1 Zr2 Ta1
3
[ 1, 1, 1 ]
3
[ [ 2.91662684, 0, 0 ], [ 0, 2.91662684, 0 ], [ 0, 0, 9.50740476 ] ]
agm003882915
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[ "Li", "Ta", "Zr", "Zr" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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0.000026
4.891622
pbe
true
45df98aac331d8cb526f18e46f6a5d56_99_Li1Zr2Ta1
[ "Gd", "Hg", "Rh" ]
4
A2BC
GdHgRh2
Gd1 Hg1 Rh2
3
[ 1, 1, 1 ]
3
[ [ 3.78904287, 0, 0 ], [ 0, 4.41303007, 0 ], [ 0, 0, 4.41303007 ] ]
agm001220925
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[ "Gd", "Rh", "Rh", "Hg" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-31.153408
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7.043825
2.887597
pbe
true
36f56ca8d69d685e207aae5edf694976_123_Gd1Hg1Rh2
[ "N", "Pu", "Sm", "Sr" ]
12
A3BCD
N3PuSmSr
Sr2 Sm2 Pu2 N6
4
[ 1, 1, 1 ]
3
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agm005040729
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[ "Sr", "Sr", "Sm", "Sm", "Pu", "Pu", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
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0.039906
6.013274
pbe
true
a52183947da400f7b63cab43d429f9cc_11_Sr2Sm2Pu2N6
[ "Li", "Te", "Zn" ]
4
A2BC
LiTeZn2
Li1 Zn2 Te1
3
[ 1, 1, 1 ]
3
[ [ 3.05418938, 0, 0 ], [ 0, 4.29451807, 0 ], [ 0, 0, 6.39646499 ] ]
agm004333906
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[ "Li", "Te", "Zn", "Zn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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0
0.865946
pbe
true
597e8c988c5bb3ebbf8c42ee5efd85ff_25_Li1Zn2Te1
[ "Lu", "Mg", "Tl" ]
4
A2BC
Lu2MgTl
Lu2 Mg1 Tl1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.735849, 3.735849 ], [ 3.735849, 0, 3.735849 ], [ 3.735849, 3.735849, 0 ] ]
oqmd-3351260
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[ "Lu", "Lu", "Mg", "Tl" ]
2024-11-01 00:00:00
[ 0.5, 0.25, 0.25 ]
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-12.6544
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0.005691
null
pbe
true
9f8a5761c8bce05d7870e75e30125095_216_Lu2Mg1Tl1
[ "Lu", "Na", "Nb" ]
3
ABC
LuNaNb
Lu1 Na1 Nb1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.610805677, 3.610805677 ], [ 3.610805677, 0, 3.610805677 ], [ 3.610805677, 3.610805677, 0 ] ]
oqmd-7375531
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[{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}]
[ "Lu", "Na", "Nb" ]
2024-11-01 00:00:00
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-11.746
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4.35809
null
pbe
true
efdb657e7baf750f792021bd26e3748f_216_Na1Lu1Nb1