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[ "Ag", "In", "S", "Se" ]
4
ABCD
AgInSSe
In1 Ag1 Se1 S1
4
[ 1, 1, 1 ]
3
[ [ 4.28159945, 0, 0 ], [ 2.14079973, 3.70797389, 0 ], [ 2.14079973, 1.2359913, 6.89764511 ] ]
agm005191202
[ [ 6.422399158791983, 3.707973877840067, 0.41381745868224223 ], [ 4.281599455273029, 2.471982595273029, 4.0138003198095165 ], [ 2.1407997075588714, 1.2359912866069558, 4.759793123193666 ], [ 4.281599432584825, 2.471982581632909, 1.3646753571143215 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "In", "Ag", "Se", "S" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.907039, 0, 0 ], [ 0, 2.907039, 0 ], [ 0, 0, 2.989815 ] ]
-14.487696
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00299202 ], [ 0, 0, -0.00222933 ], [ 0, 0, 0.0056414 ], [ 0, 0, -0.00042005 ] ]
-0.000003
1.01174
pbe
true
48c11c6c8b8b6bf5639dd51115e71c2e_160_In1Ag1Se1S1
[ "Ag", "K", "Li", "Sc" ]
5
A2BCD
AgKLi2Sc
K1 Li2 Sc1 Ag1
4
[ 1, 1, 1 ]
3
[ [ 5.71878391, 0, 0 ], [ 0, 5.39473085, 0 ], [ 0, 0, 5.71878391 ] ]
agm001581650
[ [ 0, 0, 0 ], [ 2.859391955, 2.697365425, 2.859391955 ], [ 0, 2.697365425, 0 ], [ 0, 0, 2.859391955 ], [ 2.859391955, 0, 0 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Sc", "K", "Ag", "Li", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 2.2771103, 0, 0 ], [ 0, 2.0344927, 0 ], [ 0, 0, 2.2771103 ] ]
-11.172318
[ 0.552, 0.002, 0.022, 0.034, 0.041 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.109017
10.115665
pbe
true
27b445fc54abc2aff5fb463d7f21b9a0_123_K1Li2Sc1Ag1
[ "Ag", "K", "S", "Ta" ]
16
A4B2CD
AgK2S4Ta
K4 Ta2 Ag2 S8
4
[ 1, 1, 1 ]
3
[ [ 13.34874214, 0.00385721, -0.00197844 ], [ 9.94095596, 6.5457587, 0.00385841 ], [ 3.40778618, -3.81194725, 5.31653716 ] ]
agm003220433
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "K", "K", "K", "K", "Ta", "Ta", "Ag", "Ag", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.5, 0.125 ]
[ [ 1.1276736, 0.01567792, -0.00804153 ], [ 0.01567792, 1.1100237, 0.0041194 ], [ -0.00804153, 0.0041194, 1.1159421 ] ]
-83.428392
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00001229, 0.0000064, -0.00000328 ], [ -0.00001229, -0.0000064, 0.00000328 ], [ -0.00001229, -0.0000064, 0.00000328 ], [ 0.00001229, 0.0000064, -0.00000328 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00121243, 0.0018223, -0.00093545 ], [ 0.00121243, -0.00182292, 0.00093426 ], [ -0.00119356, 0.00183275, -0.0009393 ], [ 0.00119356, -0.00183214, 0.00094049 ], [ 0.00121243, -0.0018223, 0.00093545 ], [ -0.00119356, 0.00183214, -0.00094049 ], [ 0.00119356, -0.00183275, 0.0009393 ], [ -0.00121243, 0.00182292, -0.00093426 ] ]
0
0
pbe
true
1c8f8fd2bb5e10c09747f698a8bc5ce0_70_K4Ta2Ag2S8
[ "Ag", "La", "Li", "O" ]
5
A2BCD
AgLaLi2O
Li2 La1 Ag1 O1
4
[ 1, 1, 1 ]
3
[ [ 4.48221479, 0, 0 ], [ 0, 4.48221479, 0 ], [ 0, 0, 4.73436536 ] ]
agm001632041
[ [ 0, 2.241107395, 0 ], [ 2.241107395, 0, 0 ], [ 0, 0, 0 ], [ 2.241107395, 2.241107395, 2.36718268 ], [ 0, 0, 2.36718268 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Li", "Li", "O", "Ag", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.7160027, 0, 0 ], [ 0, 0.7160027, 0 ], [ 0, 0, 0.02278924 ] ]
-21.946035
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000455
2.56672
pbe
true
cc5fe6e21cd337b8757e18cc2e9f4226_123_Li2La1Ag1O1
[ "Ag", "La", "Os", "Sc" ]
5
A2BCD
AgLaOsSc2
La1 Sc2 Ag1 Os1
4
[ 1, 1, 1 ]
3
[ [ 5.05795513, 0, 0 ], [ 0, 5.02912275, 0 ], [ 0, 0, 5.05795513 ] ]
agm001584455
[ [ 0, 0, 2.528977565 ], [ 2.528977565, 0, 0 ], [ 2.528977565, 2.514561375, 2.528977565 ], [ 0, 2.514561375, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Sc", "Sc", "Os", "Ag", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 5.4070287, 0, 0 ], [ 0, 3.894117, 0 ], [ 0, 0, 5.4070287 ] ]
-21.992453
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000073
7.527775
pbe
true
5759fb5b31bcdc7bb1e33761467f1d96_123_La1Sc2Ag1Os1
[ "Ag", "Li", "Pd", "Pm" ]
4
ABCD
AgLiPdPm
Li1 Pm1 Ag1 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.91792766, 0, 0 ], [ 2.45896383, 4.25905029, 0 ], [ 2.45896383, 1.41968343, 4.01547112 ] ]
agm001350179
[ [ 4.91792766, 2.83936686, 2.00773556 ], [ 7.37689149, 4.25905029, 3.0116033399999997 ], [ 2.45896383, 1.41968343, 1.00386778 ], [ 0, 0, 0 ] ]
[{"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": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Li", "Pd", "Ag", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.7972114, 0, 0 ], [ 0, 3.7972114, 0 ], [ 0, 0, 3.7972114 ] ]
-16.220172
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000008
2.961328
pbe
true
43c614147e49996cd9a5ca27d7aa4057_216_Li1Pm1Ag1Pd1
[ "Ag", "Li", "Sm", "Tl" ]
7
A2B2C2D
Ag2Li2SmTl2
Li2 Sm1 Tl2 Ag2
4
[ 1, 1, 1 ]
3
[ [ 4.87713437, 0, 0 ], [ 2.43856718, 4.22372226, 0 ], [ 2.43856718, 1.40790742, 7.3809113 ] ]
agm004550656
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Li", "Li", "Sm", "Tl", "Tl", "Ag", "Ag" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.2857142857142857, 0.14285714285714285, 0.2857142857142857 ]
[ [ 4.719265, 0, 0 ], [ 0, 4.719265, 0 ], [ 0, 0, 4.5534706 ] ]
-20.290313
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00078036 ], [ 0, 0, -0.00078036 ], [ 0, 0, 0 ], [ 0, 0, -0.00772146 ], [ 0, 0, 0.00772146 ], [ 0, 0, 0.00094003 ], [ 0, 0, -0.00094003 ] ]
0
3.233162
pbe
true
091d66378c523cbf085f574809fb1059_166_Li2Sm1Tl2Ag2
[ "Ag", "Mn", "Os", "Ru" ]
5
A2BCD
Ag2MnOsRu
Mn1 Ag2 Ru1 Os1
4
[ 1, 1, 1 ]
3
[ [ 4.71592307, 0, 0 ], [ 0, 4.27074388, 0 ], [ 0, 0, 4.71592307 ] ]
agm001558710
[ [ 0, 2.13537194, 0 ], [ 0, 0, 0 ], [ 2.357961535, 2.13537194, 2.357961535 ], [ 0, 0, 2.357961535 ], [ 2.357961535, 0, 0 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Ru", "Mn", "Os", "Ag", "Ag" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 6.4952984, 0, 0 ], [ 0, 5.965939, 0 ], [ 0, 0, 6.4952984 ] ]
-26.126679
[ 0.258, 2.518, 2.092, 0.116, 0.087 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.271822
5.87587
pbe
true
d28f2d77fc1368548d0b851d7ce5624a_123_Mn1Ag2Ru1Os1
[ "Ag", "Mn", "Rb", "Se" ]
8
A4B2CD
Ag2MnRbSe4
Rb1 Mn1 Ag2 Se4
4
[ 1, 1, 1 ]
3
[ [ 6.94537581, 0, 0 ], [ 3.47268791, 5.64911004, -1.10065201 ], [ 3.47268791, -0.46830888, 5.73625016 ] ]
agm004774142
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[{"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": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Rb", "Mn", "Ag", "Ag", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.125, 0.5 ]
[ [ 2.0638635, 0, 0 ], [ 0, 1.9815542, 0.09026885 ], [ 0, 0.09026885, 1.961438 ] ]
-32.612994
[ 0.004, 2.298, -0.029, -0.029, -0.084, -0.084, -0.084, -0.084 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00090888, -0.00101577 ], [ 0, -0.00090888, 0.00101577 ], [ -0.00073308, 0.00032983, 0.00088493 ], [ 0.00073308, -0.00091602, -0.0002298 ], [ -0.00073308, -0.00032983, -0.00088493 ], [ 0.00073308, 0.00091602, 0.0002298 ] ]
1.994315
3.457176
pbe
true
373808a717f69b56b1ead314822fd1e4_23_Rb1Mn1Ag2Se4
[ "Ag", "Mn", "Ru", "Se" ]
5
A2BCD
AgMnRuSe2
Mn1 Ag1 Ru1 Se2
4
[ 1, 1, 1 ]
3
[ [ 4.89286891, 0, 0 ], [ 0, 4.48642808, 0 ], [ 0, 0, 4.89286891 ] ]
agm001584686
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[{"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": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Ru", "Mn", "Se", "Se", "Ag" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 3.495507, 0, 0 ], [ 0, 1.8813174, 0 ], [ 0, 0, 3.495507 ] ]
-23.664869
[ -0.005, 0.096, -0.018, -0.014, -0.002 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.051742
7.616048
pbe
true
77eeab2b932333215fbc27254be4b238_123_Mn1Ag1Ru1Se2
[ "Ag", "Na", "Pt", "Tl" ]
5
A2BCD
AgNaPtTl2
Na1 Tl2 Ag1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 5.25554502, 0, 0 ], [ 0, 5.25554502, 0 ], [ 0, 0, 5.39761854 ] ]
agm001647894
[ [ 2.62777251, 2.62777251, 2.69880927 ], [ 0, 2.62777251, 0 ], [ 2.62777251, 0, 0 ], [ 0, 0, 2.69880927 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Na", "Tl", "Tl", "Ag", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 4.604561, 0, 0 ], [ 0, 4.604561, 0 ], [ 0, 0, 4.7414603 ] ]
-14.788765
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.2697
pbe
true
8912effd851739714fa121f2e1299e3e_123_Na1Tl2Ag1Pt1
[ "Ag", "Np", "O", "Sb" ]
8
ABCD
AgNpOSb
Np2 Ag2 Sb2 O2
4
[ 1, 1, 1 ]
3
[ [ 4.03591278, 0, 0 ], [ 0, 4.03591278, 0 ], [ 0, 0, 9.79134271 ] ]
agm005202563
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[ "Np", "Np", "Ag", "Ag", "Sb", "Sb", "O", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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6.65154
16.093927
pbe
true
da8e265d9b159720e03df0cf7f3d1ca3_129_Np2Ag2Sb2O2
[ "Ag", "O", "Pr", "Tl" ]
14
A4BCD
AgOPr4Tl
Pr8 Tl2 Ag2 O2
4
[ 1, 1, 1 ]
3
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agm005056825
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[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Tl", "Tl", "Ag", "Ag", "O", "O" ]
2023-11-16 06:57:59
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-71.358178
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0
7.419732
pbe
true
30b71b98f8579e5aa871edebba90ad7c_63_Pr8Tl2Ag2O2
[ "Ag", "O", "Pu", "Rb" ]
11
A6B2C2D
Ag2O6PuRb2
Rb2 Pu1 Ag2 O6
4
[ 1, 1, 1 ]
3
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agm004571147
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[{"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": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Rb", "Rb", "Pu", "Ag", "Ag", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.5454545454545454, 0.09090909090909091, 0.18181818181818182 ]
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-67.458026
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0.027138
2.886139
pbe
true
5cd933e54913d2f45a1ffaefda33913a_12_Rb2Pu1Ag2O6
[ "As", "H", "O", "Zn" ]
20
A6B2CD
As2HO6Zn
Zn2 As4 H2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.40341491, 0.89006202, 0.92368344 ], [ 2.88726898, 8.17045428, 0.02635333 ], [ 2.88726898, -0.27647236, 8.16581782 ] ]
agm004975664
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}]
[ "Zn", "Zn", "As", "As", "As", "As", "H", "H", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.6, 0.1 ]
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-108.640586
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0
3.460488
pbe
true
b15075454d68e6d4377eafca39fd2f57_15_Zn2As4H2O12
[ "Ag", "Sb", "Te", "V" ]
5
A2BCD
AgSb2TeV
V1 Ag1 Sb2 Te1
4
[ 1, 1, 1 ]
3
[ [ 5.1517758, 0, 0 ], [ 0, 5.1517758, 0 ], [ 0, 0, 5.14097099 ] ]
agm001786074
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[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
[ "Sb", "Sb", "Te", "Ag", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.2664835, 0, 0 ], [ 0, 1.2664835, 0 ], [ 0, 0, 1.6103015 ] ]
-21.306743
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000005
5.089703
pbe
true
10f45ef4280eb2a4c2ec88ffb7f6497f_123_V1Ag1Sb2Te1
[ "Al", "As", "Hg", "Se" ]
5
A2BCD
AlAsHgSe2
Al1 Hg1 As1 Se2
4
[ 1, 1, 1 ]
3
[ [ 4.87819596, 0, 0 ], [ 0, 4.87819596, 0 ], [ 0, 0, 5.11750669 ] ]
agm001786421
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "As", "Hg", "Se", "Se", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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-14.360111
[ 0, 0, 0, 0, 0 ]
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0.000001
6.064175
pbe
true
d54d55831f840c584bd3a1149392dd44_123_Al1Hg1As1Se2
[ "Al", "As", "Mg", "N" ]
5
A2BCD
AlAsMg2N
Mg2 Al1 As1 N1
4
[ 1, 1, 1 ]
3
[ [ 4.33111654, 0, 0 ], [ 0, 4.33111654, 0 ], [ 0, 0, 4.02537246 ] ]
agm001605743
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Mg", "Mg", "As", "Al", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.49218577, 0, 0 ], [ 0, 0.49218577, 0 ], [ 0, 0, 0.45415136 ] ]
-22.22569
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000012
2.008764
pbe
true
1c16fdc6f4aabda63d880affb5612d7c_123_Mg2Al1As1N1
[ "Al", "Au", "Cs", "Hg" ]
5
A2BCD
AlAu2CsHg
Cs1 Al1 Hg1 Au2
4
[ 1, 1, 1 ]
3
[ [ 5.17024965, 0, 0 ], [ 0, 5.17024965, 0 ], [ 0, 0, 5.53659528 ] ]
agm001633952
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Au", "Au", "Hg", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-12.47054
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0
1.234965
pbe
true
40849fa01ddae2a92cd111a9acfb9ad8_123_Cs1Al1Hg1Au2
[ "Al", "Au", "Ca", "Sr" ]
4
ABCD
AlAuCaSr
Sr1 Ca1 Al1 Au1
4
[ 1, 1, 1 ]
3
[ [ 4.57162946, 0, 0 ], [ 0, 4.51708051, 0 ], [ -2.28581473, 0, 5.74496509 ] ]
agm005213220
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[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sr", "Ca", "Al", "Au" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.8035994, 0, 0 ], [ 0, 1.6443366, 0 ], [ 0, 0, 1.6959555 ] ]
-12.634353
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[ [ 0, 0, 0.00271325 ], [ 0, 0, 0.00194559 ], [ 0, 0, -0.00529766 ], [ 0, 0, 0.00063882 ] ]
0.000007
2.452785
pbe
true
6f307430c2a8788ee39534e23ef953d1_38_Sr1Ca1Al1Au1
[ "Al", "Au", "Ge", "Mn" ]
9
A3B3C2D
Al3AuGe2Mn3
Mn3 Al3 Ge2 Au1
4
[ 1, 1, 1 ]
3
[ [ 2.89529018, 0, 0 ], [ 0, 7.32623566, 0 ], [ 0, -3.66311783, 6.3447062 ] ]
agm002328433
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Ge", "Ge", "Mn", "Mn", "Mn", "Au", "Al", "Al", "Al" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.1111111111111111, 0.2222222222222222, 0.3333333333333333 ]
[ [ 4.8912272, 0, 0 ], [ 0, 5.443066, 0 ], [ 0, 0, 5.443066 ] ]
-51.392462
[ -0.056, -0.056, 2.953, 2.871, 2.831, -0.035, -0.048, -0.044, -0.035 ]
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8.411823
4.959723
pbe
true
fb505d0fc871092f5e5193b4d142b247_189_Mn3Al3Ge2Au1
[ "Al", "Au", "Sr", "Zn" ]
8
A4B2CD
AlAu4SrZn2
Sr1 Al1 Zn2 Au4
4
[ 1, 1, 1 ]
3
[ [ 4.50379366, 0, 0 ], [ 2.25189683, 3.90039973, 0 ], [ 2.25189683, 1.30013324, 9.1575793 ] ]
agm004802269
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[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"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", "Al", "Zn", "Zn", "Au", "Au", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.125, 0.5, 0.125, 0.25 ]
[ [ 3.7516184, 0, 0 ], [ 0, 3.7516184, 0 ], [ 0, 0, 3.6431193 ] ]
-24.352912
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
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0
4.418132
pbe
true
f88c8716be97941a52fd40e1e988e9b1_166_Sr1Al1Zn2Au4
[ "Al", "B", "Cl", "Sr" ]
5
A2BCD
AlBClSr2
Sr2 Al1 B1 Cl1
4
[ 1, 1, 1 ]
3
[ [ 5.72193877, 0, 0 ], [ 0, 4.57853268, 0 ], [ 0, 0, 5.72193877 ] ]
agm001547632
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "B", "Al", "Cl" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.7073207, 0, 0 ], [ 0, -0.58059335, 0 ], [ 0, 0, 0.7073207 ] ]
-13.681401
[ 0.072, 0.102, 0.281, 0.103, 0.069 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.968634
5.168585
pbe
true
253f11686fc89984963d334b38a8b5f2_123_Sr2Al1B1Cl1
[ "Al", "Ba", "Hf", "Pd" ]
5
A2BCD
AlBa2HfPd
Ba2 Hf1 Al1 Pd1
4
[ 1, 1, 1 ]
3
[ [ 6.24270304, 0, 0 ], [ 0, 5.21592905, 0 ], [ 0, 0, 6.24270304 ] ]
agm001549879
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Hf", "Ba", "Ba", "Pd", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.9937272, 0, 0 ], [ 0, 0.9237506, 0 ], [ 0, 0, 0.9937272 ] ]
-19.153791
[ 0.316, 0.014, 0.002, -0.024, 0.019 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.670199
3.878145
pbe
true
7b728ae408f31aac33dff61b9e88fd5a_123_Ba2Hf1Al1Pd1
[ "Al", "Ba", "Br", "Se" ]
5
A2BCD
AlBaBr2Se
Ba1 Al1 Se1 Br2
4
[ 1, 1, 1 ]
3
[ [ 5.32712603, 0, 0 ], [ 0, 5.32712603, 0 ], [ 0, 0, 5.24704974 ] ]
agm001683140
[ [ 0, 0, 2.62352487 ], [ 2.663563015, 2.663563015, 2.62352487 ], [ 0, 2.663563015, 0 ], [ 2.663563015, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Se", "Ba", "Br", "Br", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.2404631, 0, 0 ], [ 0, 0.2404631, 0 ], [ 0, 0, -0.05576356 ] ]
-18.663063
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.002299
pbe
true
1c51248495ee1511c812411fa866ff77_123_Ba1Al1Se1Br2
[ "Al", "Be", "Cd", "P" ]
5
A2BCD
Al2BeCdP
Be1 Al2 Cd1 P1
4
[ 1, 1, 1 ]
3
[ [ 4.30758608, 0, 0 ], [ 0, 4.8408625, 0 ], [ 0, 0, 4.30758608 ] ]
agm001577675
[ [ 2.15379304, 2.42043125, 2.15379304 ], [ 0, 0, 0 ], [ 0, 0, 2.15379304 ], [ 2.15379304, 0, 0 ], [ 0, 2.42043125, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "Be", "Al", "Al", "Cd" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 1.2469133, 0, 0 ], [ 0, 2.9374614, 0 ], [ 0, 0, 1.2469133 ] ]
-15.151834
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.532096
pbe
true
1a8b33ceac73cac971e265b6d25d513c_123_Be1Al2Cd1P1
[ "Al", "Be", "Ir", "Mg" ]
20
A5B2C2D
AlBe2Ir5Mg2
Mg4 Be4 Al2 Ir10
4
[ 1, 1, 1 ]
3
[ [ 3.04552361, 0, 0 ], [ 0, 9.45830829, 0 ], [ 0, 0, 9.45830829 ] ]
agm005142931
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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Mg", "Mg", "Mg", "Mg", "Be", "Be", "Be", "Be", "Al", "Al", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.5, 0.2 ]
[ [ 0.5445707, 0, 0 ], [ 0, 0.32693395, 0 ], [ 0, 0, 0.32693395 ] ]
-127.998755
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00127501, -0.00127501 ], [ 0, 0.00127501, 0.00127501 ], [ 0, -0.00127501, 0.00127501 ], [ 0, 0.00127501, -0.00127501 ], [ 0, -0.00310337, -0.00310337 ], [ 0, 0.00310337, 0.00310337 ], [ 0, -0.00310337, 0.00310337 ], [ 0, 0.00310337, -0.00310337 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00165365, 0.00085734 ], [ 0, 0.00165365, -0.00085734 ], [ 0, 0.00085734, 0.00165365 ], [ 0, -0.00165365, -0.00085734 ], [ 0, -0.00085734, -0.00165365 ], [ 0, 0.00165365, 0.00085734 ], [ 0, 0.00085734, -0.00165365 ], [ 0, -0.00085734, 0.00165365 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000117
16.462301
pbe
true
5eba7f71ff0c98d28da2cd2d5aeb2b4e_127_Mg4Be4Al2Ir10
[ "Al", "Be", "Pd", "Pm" ]
15
A9B3C2D
AlBe2Pd9Pm3
Pm3 Be2 Al1 Pd9
4
[ 1, 1, 1 ]
3
[ [ 5.90928876, 0, 0 ], [ -2.95464438, 5.11759418, 0 ], [ 0, 0, 9.0717271 ] ]
agm004679789
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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Pm", "Pm", "Pm", "Be", "Be", "Al", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.06666666666666667, 0.13333333333333333, 0.6, 0.2 ]
[ [ 3.3150425, 0, 0 ], [ 0, 3.3150425, 0 ], [ 0, 0, 3.4724789 ] ]
-82.526942
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00051555 ], [ 0, 0, 0 ], [ 0, 0, -0.00051555 ], [ 0, 0, 0.00113625 ], [ 0, 0, -0.00113625 ], [ 0, 0, 0 ], [ 0.002892, -0.0016697, -0.00064385 ], [ 0, 0.00333939, -0.00064385 ], [ -0.002892, -0.0016697, -0.00064385 ], [ 0.002892, 0.0016697, 0.00064385 ], [ 0, -0.00333939, 0.00064385 ], [ -0.002892, 0.0016697, 0.00064385 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000006
4.235548
pbe
true
00461d820f2f9b3ab2a1c8494ee82a3d_164_Pm3Be2Al1Pd9
[ "Al", "Bi", "N", "Rh" ]
5
A2BCD
AlBiN2Rh
Al1 Bi1 Rh1 N2
4
[ 1, 1, 1 ]
3
[ [ 3.92632722, 0, 0 ], [ 0, 5.7778099, 0 ], [ 0, 0, 3.92632722 ] ]
agm001573115
[ [ 0, 0, 1.96316361 ], [ 1.96316361, 0, 0 ], [ 0, 0, 0 ], [ 0, 2.88890495, 0 ], [ 1.96316361, 2.88890495, 1.96316361 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "N", "N", "Rh", "Bi", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -2.1250384, 0, 0 ], [ 0, 3.2405508, 0 ], [ 0, 0, -2.1250384 ] ]
-26.137009
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
4.172558
pbe
true
710743193380365cb0d29c8f9a4ee85d_123_Al1Bi1Rh1N2
[ "Al", "Bi", "N", "Se" ]
5
A2BCD
AlBiN2Se
Al1 Bi1 Se1 N2
4
[ 1, 1, 1 ]
3
[ [ 4.28002552, 0, 0 ], [ 0, 4.28002552, 0 ], [ 0, 0, 5.93839231 ] ]
agm001732661
[ [ 0, 2.14001276, 0 ], [ 2.14001276, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.969196155 ], [ 2.14001276, 2.14001276, 2.969196155 ] ]
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "N", "N", "Bi", "Se", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.4445044, 0, 0 ], [ 0, 0.4445044, 0 ], [ 0, 0, 0.5685516 ] ]
-20.470066
[ 0.575, 0.575, -0.05, 0.014, -0.008 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.600242
4.796063
pbe
true
5d005e92a8193f6de8925234ddbb4ae1_123_Al1Bi1Se1N2
[ "Al", "C", "Fe", "Ir" ]
5
A2BCD
AlC2FeIr
Al1 Fe1 Ir1 C2
4
[ 1, 1, 1 ]
3
[ [ 3.85945452, 0, 0 ], [ 0, 5.17269072, 0 ], [ 0, 0, 3.85945452 ] ]
agm001513299
[ [ 0, 0, 1.92972726 ], [ 1.92972726, 0, 0 ], [ 0, 0, 0 ], [ 0, 2.58634536, 0 ], [ 1.92972726, 2.58634536, 1.92972726 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "C", "C", "Ir", "Fe", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.83423424, 0, 0 ], [ 0, 0.27560928, 0 ], [ 0, 0, 0.83423424 ] ]
-32.622832
[ 0.016, 0.002, 0.02, 2.859, -0.028 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.838541
2.58535
pbe
true
1261183130e4679217fa2b5447228e5a_123_Al1Fe1Ir1C2
[ "Al", "C", "Mn", "Si" ]
7
A2B2C2D
Al2CMn2Si2
Mn2 Al2 Si2 C1
4
[ 1, 1, 1 ]
3
[ [ 3.39970026, -0.00085242, -0.00050266 ], [ 1.6980476, 5.73994699, 0.11726588 ], [ 1.69833681, 1.51336449, 4.69637369 ] ]
agm002258457
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "C", "Si", "Si", "Mn", "Mn", "Al", "Al" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.14285714285714285, 0.2857142857142857, 0.2857142857142857 ]
[ [ 3.1858115, 0.7592736, -0.28813347 ], [ 0.7592738, -1.6308129, 1.0418283 ], [ -0.28813317, 1.0418286, -0.03677359 ] ]
-45.600739
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[ [ 0, 0, 0 ], [ -0.00206899, -0.02479935, -0.0206454 ], [ 0.00206899, 0.02479935, 0.0206454 ], [ 0.01116917, -0.0429406, 0.00065799 ], [ -0.01116917, 0.0429406, -0.00065799 ], [ -0.00416666, 0.01374923, 0.0043585 ], [ 0.00416666, -0.01374923, -0.0043585 ] ]
0.000579
3.954588
pbe
true
93f16205437e4e5a7a3c9578c7a24d50_12_Mn2Al2Si2C1
[ "Al", "C", "Sc", "Tb" ]
5
A2BCD
AlCSc2Tb
Tb1 Sc2 Al1 C1
4
[ 1, 1, 1 ]
3
[ [ 4.87645799, 0, 0 ], [ 0, 4.55008361, 0 ], [ 0, 0, 4.55008361 ] ]
agm005013011
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[ "Tb", "Sc", "Sc", "Al", "C" ]
2023-11-16 06:57:59
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3c871d57866f65ff67a0cf7cc6f9f0f9_123_Tb1Sc2Al1C1
[ "Al", "Cd", "Sc", "Zr" ]
4
ABCD
AlCdScZr
Zr1 Sc1 Al1 Cd1
4
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3
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agm005194162
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[ "Zr", "Sc", "Al", "Cd" ]
2023-11-16 06:57:59
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a35c02e4cfd5a61a349f622297848dfd_99_Zr1Sc1Al1Cd1
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5
A2BCD
AlClCsP2
Cs1 Al1 P2 Cl1
4
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3
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agm001755889
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2023-11-16 06:57:59
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pbe
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45d7243f24ddb28fbfa8dc376c6d2778_123_Cs1Al1P2Cl1
[ "Al", "Cl", "I", "P" ]
5
A2BCD
AlCl2IP
Al1 P1 I1 Cl2
4
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3
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agm001686892
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[ "I", "P", "Al", "Cl", "Cl" ]
2023-11-16 06:57:59
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4505d6abef068df3ff9ba8c0396ba9a7_123_Al1P1I1Cl2
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5
A2BCD
AlClP2W
Al1 P2 W1 Cl1
4
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3
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agm001755964
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[ "P", "P", "Al", "W", "Cl" ]
2023-11-16 06:57:59
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81a1da30c3009c361c68c6a75ea8aa85_123_Al1P2W1Cl1
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12
A3BCD
Al3CoCuSm
Sm2 Al6 Co2 Cu2
4
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3
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agm005045126
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2023-11-16 06:57:59
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69fe79509b91fc0d92a974fd19ac1d28_63_Sm2Al6Co2Cu2
[ "Al", "Co", "Er", "Ge" ]
9
A3B3C2D
Al3CoEr3Ge2
Er3 Al3 Co1 Ge2
4
[ 1, 1, 1 ]
3
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agm002195647
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[ "Ge", "Ge", "Co", "Al", "Al", "Al", "Er", "Er", "Er" ]
2023-11-16 06:57:59
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14a5a46ca1938b0b0d162cb5ff867511_189_Er3Al3Co1Ge2
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8
A4B2CD
Al4CoIrRh2
Al4 Co1 Ir1 Rh2
4
[ 1, 1, 1 ]
3
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agm004806067
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[ "Al", "Al", "Al", "Al", "Co", "Ir", "Rh", "Rh" ]
2023-11-16 06:57:59
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a56255fb28bd42050fa425d0edc57b5a_166_Al4Co1Ir1Rh2
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80
A12B3C3D2
Al2Co3O12Si3
Al2 Co3 O12 Si3
4
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3
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oqmd-5987175
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2024-11-01 00:00:00
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35.9937
null
pbe
true
438aebf7e82852f699f72f9cc8820eaa_230_Al8Co12Si12O48
[ "Al", "Co", "Pa", "Rh" ]
4
ABCD
AlCoPaRh
Pa1 Al1 Co1 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.5758439, 0, 0 ], [ 2.28792195, 3.96279706, 0 ], [ 2.28792195, 1.32093235, 3.7361609 ] ]
agm001402454
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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Co", "Pa", "Rh", "Al" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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-29.697388
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-0.004342
6.212263
pbe
true
bbc2d2324a3dd2c32d09973bf3711653_216_Pa1Al1Co1Rh1
[ "Al", "Cr", "Ge", "Ti" ]
9
A3B3C2D
Al3CrGe2Ti3
Ti3 Al3 Cr1 Ge2
4
[ 1, 1, 1 ]
3
[ [ 3.88907031, 0, 0 ], [ 0, 6.48408498, 0 ], [ 0, -3.24204249, 5.61538231 ] ]
agm002328755
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Cr", "Ge", "Ge", "Al", "Al", "Al", "Ti", "Ti", "Ti" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.1111111111111111, 0.2222222222222222, 0.3333333333333333 ]
[ [ 2.8309329, 0, 0 ], [ 0, 3.071543, 0 ], [ 0, 0, 3.071543 ] ]
-56.768989
[ 0.81, 0.011, 0.011, -0.001, -0.001, 0, -0.181, -0.191, -0.187 ]
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0.18204
4.735351
pbe
true
f3cd0ae5df72117e0a2cf13870d62bfd_189_Ti3Al3Cr1Ge2
[ "Al", "Cr", "H", "Nb" ]
5
A2BCD
AlCrHNb2
Nb2 Al1 Cr1 H1
4
[ 1, 1, 1 ]
3
[ [ 4.1922378, 0, 0 ], [ 0, 4.1922378, 0 ], [ 0, 0, 3.7565136 ] ]
agm001610910
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}]
[ "Cr", "Nb", "Nb", "Al", "H" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 5.109634, 0, 0 ], [ 0, 5.109634, 0 ], [ 0, 0, 4.822488 ] ]
-37.418942
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0.505274
3.786986
pbe
true
3eb8e5384fb3349aafcc840377e20d35_123_Nb2Al1Cr1H1
[ "Al", "Cr", "Mg", "Os" ]
4
ABCD
AlCrMgOs
Mg1 Al1 Cr1 Os1
4
[ 1, 1, 1 ]
3
[ [ 4.31122252, 0, 0 ], [ 2.15561126, 3.73362823, 0 ], [ 2.15561126, 1.24454274, 3.52009845 ] ]
agm001922045
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Cr", "Mg", "Os", "Al" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.980615, 0, 0 ], [ 0, 3.980615, 0 ], [ 0, 0, 3.980615 ] ]
-26.381702
[ 1.158, -0.001, -0.155, -0.017 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.999287
2.495602
pbe
true
eb94dd596af024325bf08a29248b6c17_216_Mg1Al1Cr1Os1
[ "Al", "Cr", "N", "S" ]
5
A2BCD
AlCrNS2
Al1 Cr1 S2 N1
4
[ 1, 1, 1 ]
3
[ [ 4.69762346, 0, 0 ], [ 0, 4.69762346, 0 ], [ 0, 0, 3.51116933 ] ]
agm001771175
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Cr", "S", "S", "Al", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.8449646, 0, 0 ], [ 0, 0.8449646, 0 ], [ 0, 0, 0.62719953 ] ]
-29.642517
[ 1.103, -0.022, -0.022, 0.003, -0.208 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.87236
1.874536
pbe
true
89771d14a62c27aeb3eabf51a921a1f9_123_Al1Cr1S2N1
[ "Al", "Cs", "Hg", "Te" ]
5
A2BCD
AlCsHgTe2
Cs1 Al1 Hg1 Te2
4
[ 1, 1, 1 ]
3
[ [ 5.58746806, 0, 0 ], [ 0, 5.58746806, 0 ], [ 0, 0, 5.65734014 ] ]
agm001668502
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Te", "Te", "Hg", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.90614855, 0, 0 ], [ 0, 0.90614855, 0 ], [ 0, 0, 1.2949884 ] ]
-13.143702
[ 0, 0, 0, 0, 0 ]
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0
1.116929
pbe
true
60bbb00d59a0d691e218ba8f2587824c_123_Cs1Al1Hg1Te2
[ "Al", "Cs", "O", "V" ]
12
A8B2CD
AlCsO8V2
Cs1 Al1 V2 O8
4
[ 1, 1, 1 ]
3
[ [ 5.55565318, -0.00003373, 0 ], [ -2.77779737, 4.81135365, 0 ], [ 0, 0, 8.35092966 ] ]
agm004880707
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Al", "V", "V", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.08333333333333333, 0.6666666666666666, 0.16666666666666666 ]
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-81.470689
[ 0.001, -0.009, -0.188, -0.188, 0.206, 0.273, 0.273, 0.206, 0.273, 0.273, 0.273, 0.273 ]
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2.051525
4.541098
pbe
true
38d3b54643bd88a96d310bf6548f4abc_164_Cs1Al1V2O8
[ "Al", "Cu", "Er", "Ga" ]
5
A2BCD
AlCu2ErGa
Er1 Al1 Ga1 Cu2
4
[ 1, 1, 1 ]
3
[ [ 4.06207402, 0, 0 ], [ 0, 3.75783217, 0 ], [ -2.03103701, -1.87891608, 5.58008219 ] ]
agm005004089
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[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Er", "Al", "Ga", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-21.488353
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.0082708 ], [ 0, 0, -0.02878803 ], [ 0, 0, -0.02569226 ], [ 0, 0, 0.04903041 ], [ 0, 0, -0.00282092 ] ]
0
1.859038
pbe
true
4f86c408651e7652328c6344d6de6cea_44_Er1Al1Ga1Cu2
[ "Al", "Cu", "Er", "Zn" ]
8
A4B2CD
AlCuEr4Zn2
Er4 Al1 Zn2 Cu1
4
[ 1, 1, 1 ]
3
[ [ 4.98448847, 0, 0 ], [ 2.49224423, 4.31669364, 0 ], [ 2.49224423, 1.43889788, 8.13408993 ] ]
agm004798103
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[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Er", "Er", "Er", "Er", "Al", "Zn", "Zn", "Cu" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.5, 0.25 ]
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-31.345179
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[ [ 0, 0, 0.00220677 ], [ 0, 0, -0.00043984 ], [ 0, 0, 0.00043984 ], [ 0, 0, -0.00220677 ], [ 0, 0, 0 ], [ 0, 0, -0.00351277 ], [ 0, 0, 0.00351277 ], [ 0, 0, 0 ] ]
0.000633
5.378387
pbe
true
a5da8def594645b9e6ebf50216892984_166_Er4Al1Zn2Cu1
[ "Al", "Cu", "Ga", "Pu" ]
10
A4B3C2D
Al3Cu4GaPu2
Pu2 Al3 Ga1 Cu4
4
[ 1, 1, 1 ]
3
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agm004528978
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[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Pu", "Pu", "Al", "Al", "Al", "Ga", "Cu", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.3, 0.4, 0.1, 0.2 ]
[ [ -2.1433246, 0, 0 ], [ 0, -2.1433246, 0 ], [ 0, 0, -3.4576602 ] ]
-61.30419
[ 5.22, 5.22, -0.008, -0.006, -0.006, -0.013, 0.012, 0.011, 0.015, 0.015 ]
[ [ 0, 0, 0.00158829 ], [ 0, 0, -0.00158829 ], [ 0, 0, 0 ], [ 0, 0, 0.0001166 ], [ 0, 0, -0.0001166 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00771014 ], [ 0, 0, 0.00771014 ] ]
11.103922
24.181284
pbe
true
6fe185fda0b6333b41175f1b67992f95_115_Pu2Al3Ga1Cu4
[ "Al", "Cu", "Ho", "Ir" ]
4
ABCD
AlCuHoIr
Ho1 Al1 Cu1 Ir1
4
[ 1, 1, 1 ]
3
[ [ 4.57689715, 0, 0 ], [ 2.28844858, 3.9637092, 0 ], [ 2.28844858, 1.3212364, 3.73702088 ] ]
agm001343407
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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ir", "Ho", "Cu", "Al" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -2.447056, 0, 0 ], [ 0, -2.447056, 0 ], [ 0, 0, -2.447056 ] ]
-23.387151
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000005
2.57885
pbe
true
c955581e3fe0bfb75deffbec15ea164d_216_Ho1Al1Cu1Ir1
[ "Al", "Cu", "La", "Pm" ]
4
ABCD
AlCuLaPm
La1 Pm1 Al1 Cu1
4
[ 1, 1, 1 ]
3
[ [ 5.24338236, 0, 0 ], [ 2.62169118, 4.54090232, 0 ], [ 2.62169118, 1.51363411, 4.28120377 ] ]
agm001346844
[ [ 5.24338236, 3.027268215, 2.140601885 ], [ 7.86507354, 4.540902322499999, 3.2109028275 ], [ 2.62169118, 1.5136341075, 1.0703009425 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "La", "Al", "Cu", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -1.6951922, 0, 0 ], [ 0, -1.6951922, 0 ], [ 0, 0, -1.6951922 ] ]
-18.356661
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000006
4.529779
pbe
true
ac9d035cb1bf63d5acfb495b491e5542_216_La1Pm1Al1Cu1
[ "Al", "Cu", "Ni", "Sc" ]
4
ABCD
AlCuNiSc
Sc1 Al1 Cu1 Ni1
4
[ 1, 1, 1 ]
3
[ [ 4.34098279, 0, 0 ], [ 2.17049139, 3.75940137, 0 ], [ 2.17049139, 1.25313379, 3.5443976 ] ]
agm002327918
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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Ni", "Al", "Cu" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -5.568278, 0, 0 ], [ 0, -5.568278, 0 ], [ 0, 0, -5.568278 ] ]
-21.947587
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
3.175208
pbe
true
bac9a5305cb1f489c1a3a3d90c45f9fc_216_Sc1Al1Cu1Ni1
[ "Al", "Cu", "O", "W" ]
24
A8B2CD
AlCuO8W2
Al2 Cu2 W4 O16
4
[ 1, 1, 1 ]
3
[ [ 5.67061286, 0, 0 ], [ 0, 5.0319631, 0.01071275 ], [ 0, 4.92963733, 9.14478235 ] ]
agm003230762
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Al", "Al", "Cu", "Cu", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.08333333333333333, 0.6666666666666666, 0.16666666666666666 ]
[ [ 0.9755121, 0, 0 ], [ 0, 0.85373163, 0.06222053 ], [ 0, 0.06222006, 0.8181631 ] ]
-170.232193
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00020147, 0, 0 ], [ -0.00020147, 0, 0 ], [ -0.01057974, 0, 0 ], [ 0.01057974, 0, 0 ], [ -0.00132887, 0.00188697, 0.00055926 ], [ -0.00132887, -0.00188697, -0.00055926 ], [ 0.00132887, -0.00188697, -0.00055926 ], [ 0.00132887, 0.00188697, 0.00055926 ], [ 0.00062522, -0.00255551, -0.00105202 ], [ 0.00062522, 0.00255551, 0.00105202 ], [ -0.00062522, 0.00255551, 0.00105202 ], [ -0.00062522, -0.00255551, -0.00105202 ], [ 0.00097662, -0.00263018, -0.00077147 ], [ 0.00097662, 0.00263018, 0.00077147 ], [ -0.00097662, 0.00263018, 0.00077147 ], [ -0.00097662, -0.00263018, -0.00077147 ], [ -0.00372382, 0.00092123, -0.00038825 ], [ -0.00372382, -0.00092123, 0.00038825 ], [ 0.00372382, -0.00092123, 0.00038825 ], [ 0.00372382, 0.00092123, -0.00038825 ], [ 0.00034097, 0.00082769, 0.00158306 ], [ -0.00034097, -0.00082769, -0.00158306 ], [ 0.00034097, -0.00082769, -0.00158306 ], [ -0.00034097, 0.00082769, 0.00158306 ] ]
-0.00002
-0.057182
pbe
true
58fd3ce001cfa6a525d30ebe3974828f_13_Al2Cu2W4O16
[ "Al", "Cu", "P", "Si" ]
8
ABCD
AlCuPSi
Al2 Si2 Cu2 P2
4
[ 1, 1, 1 ]
3
[ [ 2.56648281, 0, 0 ], [ 0, 4.42205711, 0 ], [ 0, 0, 10.94806364 ] ]
agm002049897
[ [ 0, 0, 3.0090884291303683 ], [ 1.283241405, 2.211028555, 8.483120249130367 ], [ 0, 2.211028555, 3.9587546712453423 ], [ 1.283241405, 0, 9.432786491245343 ], [ 0, 0, 5.791308565458019 ], [ 1.283241405, 2.211028555, 0.3172767454580188 ], [ 0, 0, 0.5978144168754712 ], [ 1.283241405, 2.211028555, 6.071846236875472 ] ]
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "P", "Si", "Si", "Al", "Al", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -2.934031, 0, 0 ], [ 0, 11.420082, 0 ], [ 0, 0, -9.607082 ] ]
-36.790612
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.04367092 ], [ 0, 0, 0.04367092 ], [ 0, 0, -0.02497257 ], [ 0, 0, -0.02497257 ], [ 0, 0, -0.04909533 ], [ 0, 0, -0.04909533 ], [ 0, 0, 0.03039698 ], [ 0, 0, 0.03039698 ] ]
-0.000001
2.868134
pbe
true
3254fae644b83d52da63da1740ba3c48_44_Al2Si2Cu2P2
[ "Al", "Cu", "Sb", "Te" ]
5
A2BCD
AlCuSbTe2
Al1 Cu1 Sb1 Te2
4
[ 1, 1, 1 ]
3
[ [ 5.35775886, 0, 0 ], [ 0, 5.35775886, 0 ], [ 0, 0, 5.17413884 ] ]
agm001805383
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[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Sb", "Te", "Te", "Al", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -0.34579203, 0, 0 ], [ 0, -0.34579203, 0 ], [ 0, 0, -0.6396185 ] ]
-14.740239
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.834898
pbe
true
344a89bdb0345dc728408b5e13473d6a_123_Al1Cu1Sb1Te2
[ "Al", "Fe", "H", "Ir" ]
5
A2BCD
AlFe2HIr
Al1 Fe2 H1 Ir1
4
[ 1, 1, 1 ]
3
[ [ 3.68762244, 0, 0 ], [ 0, 3.68762244, 0 ], [ 0, 0, 3.98920602 ] ]
agm001632127
[ [ 0, 0, 0 ], [ 0, 0, 1.99460301 ], [ 0, 1.84381122, 0 ], [ 1.84381122, 0, 0 ], [ 1.84381122, 1.84381122, 1.99460301 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "H", "Ir", "Fe", "Fe", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 6.5088954, 0, 0 ], [ 0, 6.5088954, 0 ], [ 0, 0, 6.7083545 ] ]
-34.02708
[ -0.017, 0.176, 2.386, 2.386, -0.048 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.848164
3.035703
pbe
true
698392893f20a9258c1865020213c655_123_Al1Fe2H1Ir1
[ "Al", "Fe", "Hf", "Na" ]
5
A2BCD
Al2FeHfNa
Na1 Hf1 Al2 Fe1
4
[ 1, 1, 1 ]
3
[ [ 5.1521673, 0, 0 ], [ 0, 5.41139205, 0 ], [ 0, 0, 5.1521673 ] ]
agm001438423
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Na", "Hf", "Fe", "Al", "Al" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 1.4929712, 0, 0 ], [ 0, 0.6244858, 0 ], [ 0, 0, 1.4929712 ] ]
-17.633766
[ 0.007, 0.096, -0.071, 0.003, 0.004 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.129609
6.734263
pbe
true
618f645cc93ffbbce80442e34736d615_123_Na1Hf1Al2Fe1
[ "Al", "Fe", "Mg", "O" ]
64
A32B30CD
AlFeMg30O32
Mg30 Al1 Fe1 O32
4
[ 1, 1, 1 ]
3
[ [ 8.50107382, 0, 0 ], [ 0, 8.50107382, 0 ], [ 0, 0, 8.52782964 ] ]
agm003276314
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "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", "Al", "Fe", "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" ]
2023-11-16 06:57:59
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2.999982
-0.361748
pbe
true
e73d9d20c90a28437b5b510e4ea3f265_123_Mg30Al1Fe1O32
[ "Al", "Ge", "Pt", "Th" ]
10
A6B2CD
AlGePt6Th2
Th2 Al1 Ge1 Pt6
4
[ 1, 1, 1 ]
3
[ [ 6.44666636, 0.41512948, -0.15864249 ], [ 0.36757838, 7.04411751, 0.6329808 ], [ 3.30278991, 4.18417994, 4.853495 ] ]
agm004921592
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Th", "Th", "Al", "Ge", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.2 ]
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-68.137508
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0.000007
5.001205
pbe
true
3202f89920bb3862e40b77b88cc70106_2_Th2Al1Ge1Pt6
[ "Al", "Ge", "Sr", "Zn" ]
9
A3B3C2D
Al3Ge2Sr3Zn
Sr3 Al3 Zn1 Ge2
4
[ 1, 1, 1 ]
3
[ [ 4.6485945, 0, 0 ], [ 0, 7.32627019, 0 ], [ 0, -3.6631351, 6.34473609 ] ]
agm002248999
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"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", "Sr", "Ge", "Ge", "Zn", "Al", "Al", "Al" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.2222222222222222, 0.3333333333333333, 0.1111111111111111 ]
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-30.114602
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0
2.873158
pbe
true
2c6951d7e876047949db1d63de22754f_189_Sr3Al3Zn1Ge2
[ "Al", "Hf", "Pt", "Th" ]
10
A4B3C2D
Al4HfPt3Th2
Hf1 Th2 Al4 Pt3
4
[ 1, 1, 1 ]
3
[ [ 4.23811613, 0, 0 ], [ 0, 4.23811613, 0 ], [ 0, 0, 11.20681383 ] ]
agm004520156
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Hf", "Th", "Th", "Al", "Al", "Al", "Al", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.4, 0.1, 0.3, 0.2 ]
[ [ 2.5916028, 0, 0 ], [ 0, 2.5916028, 0 ], [ 0, 0, 2.590887 ] ]
-67.059873
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-0.000001
7.015221
pbe
true
0fdfc068d6d6085bc81941df2c8383cd_115_Hf1Th2Al4Pt3
[ "Al", "Ho", "Sc", "Ti" ]
4
ABCD
AlHoScTi
Ho1 Sc1 Ti1 Al1
4
[ 1, 1, 1 ]
3
[ [ 4.98843476, 0, 0 ], [ 2.49421738, 4.32011123, 0 ], [ 2.49421738, 1.44003708, 4.07303993 ] ]
agm001293894
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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Sc", "Al", "Ho", "Ti" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.6316783, 0, 0 ], [ 0, 2.6316783, 0 ], [ 0, 0, 2.6316783 ] ]
-22.903685
[ 0.302, -0.023, 0.293, 1.515 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.625999
4.548071
pbe
true
cfc9d66028c3fcdd2456a2a27a3c36ec_216_Ho1Sc1Ti1Al1
[ "Al", "La", "Na", "Ru" ]
5
A2BCD
AlLa2NaRu
Na1 La2 Al1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 5.5096835, 0, 0 ], [ 0, 5.5096835, 0 ], [ 0, 0, 5.00053628 ] ]
agm001616348
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Ru", "Na", "Al", "La", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.7537808, 0, 0 ], [ 0, 1.7537808, 0 ], [ 0, 0, 1.2519765 ] ]
-25.1385
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000377
4.848378
pbe
true
7ffc8e834771efdec463b70f4b0120f2_123_Na1La2Al1Ru1
[ "Al", "La", "Nd", "Sm" ]
4
ABCD
AlLaNdSm
La1 Nd1 Sm1 Al1
4
[ 1, 1, 1 ]
3
[ [ 3.46032815, 0, 0 ], [ -1.73016408, 6.22870782, 0 ], [ 0, 0, 5.67965085 ] ]
agm005189349
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "La", "Nd", "Sm", "Al" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.7410862, 0, 0 ], [ 0, 0.70432675, 0 ], [ 0, 0, 0.8570428 ] ]
-17.565695
[ 0, 0, 0, 0 ]
[ [ 0, 0.00267012, 0 ], [ 0, 0.00265855, 0 ], [ 0, 0.00076209, 0 ], [ 0, -0.00609076, 0 ] ]
0.000645
5.823722
pbe
true
3b5f8d1ff1550d68bb6cdb1c8a053772_38_La1Nd1Sm1Al1
[ "Al", "La", "O", "Sc" ]
40
A24B8C7D
Al8La7O24Sc
La7 Sc1 Al8 O24
4
[ 1, 1, 1 ]
3
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agm003246750
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[ "La", "La", "La", "La", "La", "La", "La", "Sc", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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0
0
pbe
true
47b1cfc0e6351c5adba58d13b4dd4b2a_221_La7Sc1Al8O24
[ "Al", "La", "Pd", "Pt" ]
10
A4B3C2D
Al4La2Pd3Pt
La2 Al4 Pd3 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.4122048, 0, 0 ], [ 0, 4.4122048, 0 ], [ 0, 0, 10.22223863 ] ]
agm004519518
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "La", "La", "Al", "Al", "Al", "Al", "Pd", "Pd", "Pd", "Pt" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.3, 0.1 ]
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-55.686596
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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-0.000002
9.528624
pbe
true
bfd93f738149a95f292dbebcb278ebfa_115_La2Al4Pd3Pt1
[ "Al", "Li", "Mn", "O" ]
28
A6B6CD
AlLi6MnO6
Li12 Mn2 Al2 O12
4
[ 1, 1, 1 ]
3
[ [ 4.57361001, 2.79478481, -0.00461389 ], [ -4.57361001, 2.79478481, -0.00461389 ], [ 0, 0.43443607, 9.79570657 ] ]
agm005221611
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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": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Mn", "Mn", "Al", "Al", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.07142857142857142, 0.42857142857142855, 0.07142857142857142, 0.42857142857142855 ]
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-160.700254
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7.999999
-0.014738
pbe
true
05cd558912f6daf78086d5bb0f27d9c0_15_Li12Mn2Al2O12
[ "Al", "Li", "N", "Pb" ]
5
A2BCD
AlLi2NPb
Li2 Al1 Pb1 N1
4
[ 1, 1, 1 ]
3
[ [ 4.55760918, 0, 0 ], [ 0, 4.55760918, 0 ], [ 0, 0, 3.66060489 ] ]
agm001608475
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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Pb", "Li", "Li", "Al", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.40332758, 0, 0 ], [ 0, 0.40332758, 0 ], [ 0, 0, 0.3141728 ] ]
-21.282402
[ 0, 0, 0, 0, 0 ]
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0
1.795248
pbe
true
f4029a4ad9d7444b33b984b86ffff6c7_123_Li2Al1Pb1N1
[ "Al", "Li", "Pm", "S" ]
16
A4B2CD
AlLi2PmS4
Li4 Pm2 Al2 S8
4
[ 1, 1, 1 ]
3
[ [ 7.55597147, 0.03827727, -0.23302401 ], [ 0.0329734, 7.55599718, -0.23302717 ], [ -3.91721539, -3.9199543, 5.60665711 ] ]
agm004870274
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Pm", "Pm", "Al", "Al", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.125, 0.5 ]
[ [ 0.05425073, 0.03744695, -0.01392023 ], [ 0.03744695, 0.05430326, -0.01392992 ], [ -0.01392181, -0.0139315, 0.04079602 ] ]
-80.445667
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0
0
pbe
true
906ac027de8c7a2f23b6ff5323589fd3_74_Li4Pm2Al2S8
[ "Al", "Mg", "Pm", "Sn" ]
4
ABCD
AlMgPmSn
Pm1 Mg1 Al1 Sn1
4
[ 1, 1, 1 ]
3
[ [ 4.46069284, 0, 0 ], [ 0, 4.5692911, 0 ], [ 0, 0, 4.63688571 ] ]
agm005214599
[ [ 2.23034642, 0, 2.318442855 ], [ 2.23034642, 2.28464555, 0 ], [ 0, 2.28464555, 2.318442855 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Mg", "Al", "Sn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.7179035, 0, 0 ], [ 0, 1.8270962, 0 ], [ 0, 0, 1.8972999 ] ]
-15.843664
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
1.411212
pbe
true
62f5de14840ff0edead315b08567b443_47_Pm1Mg1Al1Sn1
[ "Al", "Mg", "Pm", "Zn" ]
8
A4B2CD
Al2MgPm4Zn
Pm4 Mg1 Al2 Zn1
4
[ 1, 1, 1 ]
3
[ [ 5.27407519, 0, 0 ], [ 2.6370376, 4.5674831, 0 ], [ 2.63703759, 1.52249436, 8.60685369 ] ]
agm004803025
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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pm", "Pm", "Pm", "Pm", "Mg", "Al", "Al", "Zn" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.5, 0.125 ]
[ [ 0.94287497, 0, 0 ], [ 0, 0.94287497, 0 ], [ 0, 0, 1.0252467 ] ]
-31.865517
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00065643 ], [ 0, 0, 0.0012382 ], [ 0, 0, -0.0012382 ], [ 0, 0, -0.00065643 ], [ 0, 0, 0 ], [ 0, 0, 0.00155374 ], [ 0, 0, -0.00155374 ], [ 0, 0, 0 ] ]
-0.000009
6.908325
pbe
true
cefe58da3831ba5a4ef90475fa1a6260_166_Pm4Mg1Al2Zn1
[ "Al", "Mg", "Sm", "Zr" ]
4
ABCD
AlMgSmZr
Sm1 Mg1 Zr1 Al1
4
[ 1, 1, 1 ]
3
[ [ 5.07108953, 0, 0 ], [ 2.53554476, 4.39169235, 0 ], [ 2.53554476, 1.46389745, 4.14052726 ] ]
agm001400654
[ [ 5.0710895250000005, 2.9277949, 2.07026363 ], [ 7.6066342875, 4.39169235, 3.105395445 ], [ 2.5355447625000003, 1.46389745, 1.035131815 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Mg", "Zr", "Sm", "Al" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.82656485, 0, 0 ], [ 0, 0.82656485, 0 ], [ 0, 0, 0.82656485 ] ]
-19.25216
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000002
2.765412
pbe
true
88a2662c0f781bcfc2788ee2d0c359ce_216_Sm1Mg1Zr1Al1
[ "Al", "Mg", "Sm", "Zn" ]
5
A2BCD
AlMgSmZn2
Sm1 Mg1 Al1 Zn2
4
[ 1, 1, 1 ]
3
[ [ 4.2735129, 0, 0 ], [ 0, 4.2735129, 0 ], [ -2.13675646, -2.13675645, 5.58142005 ] ]
agm005022141
[ [ 0, 0, 0 ], [ -4.999999969612645e-9, 2.13675645, 2.790710025 ], [ 2.136756445, 0, 2.790710025 ], [ 2.1367564478227696, 2.13675645, 1.2152037408029521 ], [ -7.822769478839321e-9, 7.361802442549958e-17, 4.366216309197048 ] ]
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Sm", "Mg", "Al", "Zn", "Zn" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.5409018, 0, 0 ], [ 0, 1.5409018, 0 ], [ 0, 0, 1.9382348 ] ]
-14.193308
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00086474 ], [ 0, 0, 0.00086474 ] ]
0
3.106111
pbe
true
c622fb3bc97bc1987acbb8e14a5d4a0d_119_Sm1Mg1Al1Zn2
[ "Al", "Mo", "O", "Tl" ]
9
A6BCD
AlMoO6Tl
Al1 Tl1 Mo1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.11134874, 0.00000514, -0.00011497 ], [ 2.5557165, 4.42653376, 0.00022221 ], [ 0.00014539, -0.00028936, 4.77556653 ] ]
agm005094246
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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": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Al", "Tl", "Mo", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]
[ [ 0.7206961, -0.00607483, -0.01504075 ], [ -0.00607471, 0.7347902, 0.00947769 ], [ -0.01504068, 0.00947761, 1.2322353 ] ]
-57.987985
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00013501, -0.00026469, 0.00006267 ], [ -0.00003417, 0.00002088, -0.0000494 ], [ 0.00027765, 0.0006227, 0.00015208 ], [ -0.00020546, 0.00150183, 0.003323 ], [ 0.00119382, -0.00104594, -0.00321106 ], [ 0.00012407, 0.00156382, -0.00344326 ], [ -0.0015904, -0.00050228, -0.0032919 ], [ 0.00151737, -0.0006363, 0.00335845 ], [ -0.00114787, -0.00126002, 0.00309942 ] ]
-0.000001
-0.000049
pbe
true
cc4ef6fabb8586980400c58e5f640741_149_Al1Tl1Mo1O6
[ "Al", "Mn", "O", "Sr" ]
14
A4BCD
AlMnO4Sr
Sr2 Mn2 Al2 O8
4
[ 1, 1, 1 ]
3
[ [ 5.41897093, 0, 0.12064426 ], [ 0, 5.62742008, 0 ], [ -1.98409886, 0, 6.26606929 ] ]
agm005051017
[ [ 2.172910767957157, 4.22056506, 6.022668526522736 ], [ 1.261961302042844, 1.40685502, 0.3640450234772634 ], [ 3.3930063099310934, 4.22056506, 2.979260487169835 ], [ 0.04186576006890653, 1.40685502, 3.4074530628301645 ], [ 0.7795398196055081, 4.22056506, 2.1914949751256305 ], [ 2.655332250394492, 1.40685502, 4.195218574874369 ], [ 3.819373151342966, 2.7176834061096753, 4.508015566191022 ], [ -0.38450108134296546, 5.531393446109675, 1.8786979838089768 ], [ -0.38450108134296546, 2.9097366738903254, 1.8786979838089768 ], [ 3.819373151342966, 0.0960266338903248, 4.508015566191022 ], [ 2.2737559551100373, 4.22056506, 1.2330763753393477 ], [ 1.1611161148899634, 1.40685502, 5.153637174660652 ], [ 1.624956482609537, 4.22056506, 3.725050127136311 ], [ 1.8099155873904633, 1.40685502, 2.6616634228636893 ] ]
[{"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": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Mn", "Mn", "Al", "Al", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]
[ [ 0.8025555, 0, 0.26079938 ], [ 0, 1.1139567, 0 ], [ 0.26079935, 0, 1.1330591 ] ]
-97.75529
[ 0.005, 0.005, 4.037, 4.037, 0.006, 0.006, 0, 0, 0, 0, -0.064, -0.064, -0.1, -0.1 ]
[ [ 0.00199982, 0, 0.00184046 ], [ -0.00199982, 0, -0.00184046 ], [ -0.00421512, 0, 0.0005948 ], [ 0.00421512, 0, -0.0005948 ], [ -0.00316521, 0, 0.00124838 ], [ 0.00316521, 0, -0.00124838 ], [ -0.00050781, -0.00016305, -0.00132344 ], [ 0.00050781, -0.00016305, 0.00132344 ], [ 0.00050781, 0.00016305, 0.00132344 ], [ -0.00050781, 0.00016305, -0.00132344 ], [ 0.00325596, 0, -0.00199454 ], [ -0.00325596, 0, 0.00199454 ], [ 0.00055543, 0, 0.00404672 ], [ -0.00055543, 0, -0.00404672 ] ]
7.999998
0.282269
pbe
true
1affa159eab2b1e4aee8cb9afa76d184_11_Sr2Mn2Al2O8
[ "Al", "Mo", "P", "S" ]
5
A2BCD
AlMoPS2
Al1 Mo1 P1 S2
4
[ 1, 1, 1 ]
3
[ [ 4.5161856, 0, 0 ], [ 0, 4.65067212, 0 ], [ 0, 0, 4.5161856 ] ]
agm001594428
[ [ 0, 0, 0 ], [ 0, 2.32533606, 0 ], [ 0, 0, 2.2580928 ], [ 2.2580928, 0, 0 ], [ 2.2580928, 2.32533606, 2.2580928 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "Mo", "S", "S", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.18618426, 0, 0 ], [ 0, -0.46487033, 0 ], [ 0, 0, 0.18618426 ] ]
-23.895
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000022
5.3966
pbe
true
860f9532c7aa9c8faa492bba5504ce54_123_Al1Mo1P1S2
[ "Al", "N", "Nb", "Se" ]
5
A2BCD
AlNNbSe2
Nb1 Al1 Se2 N1
4
[ 1, 1, 1 ]
3
[ [ 5.20335511, 0, 0 ], [ 0, 5.20335511, 0 ], [ 0, 0, 3.90149899 ] ]
agm001793945
[ [ 0, 0, 0 ], [ 2.601677555, 2.601677555, 1.950749495 ], [ 0, 2.601677555, 0 ], [ 2.601677555, 0, 0 ], [ 0, 0, 1.950749495 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Nb", "Al", "Se", "Se", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.21967804, 0, 0 ], [ 0, 0.21967804, 0 ], [ 0, 0, 0.2341766 ] ]
-29.092159
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
2.459577
pbe
true
4c2f2deb6bafa1c1970a6e41fea45fc7_123_Nb1Al1Se2N1
[ "Al", "N", "Pb", "Te" ]
5
A2BCD
AlNPbTe2
Al1 Te2 Pb1 N1
4
[ 1, 1, 1 ]
3
[ [ 5.95163823, 0, 0 ], [ 0, 5.95163823, 0 ], [ 0, 0, 4.3958708 ] ]
agm001801530
[ [ 0, 0, 0 ], [ 0, 2.975819115, 0 ], [ 2.975819115, 0, 0 ], [ 2.975819115, 2.975819115, 2.1979354 ], [ 0, 0, 2.1979354 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Pb", "Te", "Te", "Al", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -0.5607195, 0, 0 ], [ 0, -0.5607195, 0 ], [ 0, 0, -3.5169494 ] ]
-16.682055
[ -0.029, 0.19, 0.19, 0.012, 0.89 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.954857
3.918655
pbe
true
483f78710a96fa756b773d31079e7217_123_Al1Te2Pb1N1
[ "Al", "Na", "O", "Sm" ]
15
A8B3C3D
AlNa3O8Sm3
Na3 Sm3 Al1 O8
4
[ 1, 1, 1 ]
3
[ [ 6.81974277, 0.00002253, 0.00001057 ], [ -3.4098519, 5.90586867, -0.02083147 ], [ -0.00001444, -3.91876118, 5.57299127 ] ]
agm004683624
[ [ 0, 0, 0 ], [ -1.70492595, 2.952934335, -0.010415735 ], [ 1.7049454350000002, 2.9529456, -0.01041045 ], [ 3.409864165, -1.9593693250000002, 2.78650092 ], [ 1.704938215, 0.99356501, 2.776085185 ], [ -1.70493317, 0.993553745, 2.7760799 ], [ -0.00000722, -1.95938059, 2.786495635 ], [ 0.000037625412804762046, 1.9735878347750317, 1.5649979933184377 ], [ 3.409838804587195, 0.013542185224968415, 3.987172376681562 ], [ 3.4099082979204427, 2.2441003098442227, 1.697983034348647 ], [ -0.00003186792044256547, -0.2569702898442225, 3.854187335651353 ], [ 5.348737130901477, -1.113929241171947, 1.7098423729173402 ], [ -1.9388607009014769, 3.101059261171947, 3.84232799708266 ], [ 1.4710247425772998, -1.1139581775779528, 1.7098355857944474 ], [ 1.9388516874227009, 3.1010881975779525, 3.8423347842055526 ] ]
[{"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": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Na", "Na", "Na", "Sm", "Sm", "Sm", "Al", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.06666666666666667, 0.2, 0.5333333333333333, 0.2 ]
[ [ 0.6828779, -0.01434137, 0.00663345 ], [ -0.01434171, 0.6896991, 0.02033466 ], [ 0.00663346, 0.02033478, 0.43817678 ] ]
-99.145262
[ -0.001, -0.001, -0.001, -0.009, -0.009, -0.009, -0.005, 0.017, 0.017, 0.153, 0.153, 0.153, 0.153, 0.153, 0.153 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00028597, 0.00049832, -0.00017609 ], [ 0.00028597, -0.00049832, 0.00017609 ], [ -0.00019576, 0.0006486, -0.00053549 ], [ 0.00019576, -0.0006486, 0.00053549 ], [ 0.00013617, 0.00037783, -0.0005158 ], [ -0.00013617, -0.00037783, 0.0005158 ], [ -0.00021623, 0.00049972, -0.00050179 ], [ 0.00021623, -0.00049972, 0.00050179 ] ]
1.129807
11.013107
pbe
true
27ff43518e89a7f24b4803dabb2961db_166_Na3Sm3Al1O8
[ "Al", "Nd", "Rb", "Se" ]
16
A8B4C3D
AlNd3Rb4Se8
Rb4 Nd3 Al1 Se8
4
[ 1, 1, 1 ]
3
[ [ 8.55100624, 0, 0 ], [ 0, 9.39834922, 0.58382818 ], [ -4.27550312, -4.26959009, 6.05350862 ] ]
agm004721148
[ [ 4.27550312, 0, 0 ], [ 2.13775156, -2.134795045, 3.02675431 ], [ 0, 0, 0 ], [ -2.13775156, -2.134795045, 3.02675431 ], [ 4.27550312, 4.69917461, 0.29191409 ], [ 2.13775156, 2.564379565, 3.3186684 ], [ -2.13775156, 2.564379565, 3.3186684 ], [ 0, 4.69917461, 0.29191409 ], [ -2.316243083747169, 2.3270116403182968, 6.298607523003024 ], [ -3.9469533192016114e-17, 4.639339770137276, 3.0264371402187566 ], [ -4.275503138167845e-8, 0.5151104369768685, 3.3850576578107407 ], [ 2.3162430837471684, 2.3270116403182968, 6.298607523003024 ], [ 1.9592600362528312, 2.8017474896817034, 0.3387292769969758 ], [ 4.275503162755031, 4.613648693023131, 3.2522791421892587 ], [ 4.27550312, 0.48941935986272334, 3.6108996597812433 ], [ 6.591746203747168, 2.8017474896817034, 0.3387292769969758 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Rb", "Rb", "Nd", "Nd", "Nd", "Al", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.0625, 0.1875, 0.25, 0.5 ]
[ [ 0.42280528, 0, 0 ], [ 0, 0.4138796, -0.00024127 ], [ 0, -0.00024125, 0.40394974 ] ]
-73.620561
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.001538, -0.00083201, 0.00087825 ], [ 0, 0.00064096, -0.00687519 ], [ 0, 0.00073351, -0.00134922 ], [ 0.001538, -0.00083201, 0.00087825 ], [ -0.001538, 0.00083201, -0.00087825 ], [ 0, -0.00073351, 0.00134922 ], [ 0, -0.00064096, 0.00687519 ], [ 0.001538, 0.00083201, -0.00087825 ] ]
0.000001
-0.069627
pbe
true
e27f4c976e00b6dc24b1057c90097105_166_Rb4Nd3Al1Se8
[ "Al", "O", "Pa", "Rb" ]
10
A6B2CD
AlO6PaRb2
Rb2 Pa1 Al1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.87431806, 0.00015655, 0.00010436 ], [ 2.93727961, 5.08724957, -0.00009692 ], [ 2.93727407, 1.6960273, 4.79638026 ] ]
agm004934940
[ [ 5.874803903872918, 3.391886745915369, 1.4459715598887781 ], [ 2.9368683344550304, 1.695767568951498, 3.8445388490979564 ], [ 8.811625291714616, 5.087531593033463, 2.645308350954461 ], [ 2.9372076910431257, 1.695814578911773, 0.24712773929063941 ], [ 4.326456451806815, 0.8947622284559132, 1.3813728601907331 ], [ 1.5485116751259782, 0.8934429836290115, 1.3811319778739457 ], [ 2.9368886492712436, 3.2995674681174227, 1.3812321237012326 ], [ 7.263086874662896, 4.194330561495644, 3.9095037076967993 ], [ 5.874935853594653, 1.788103270905104, 3.909395223199694 ], [ 4.485166411642683, 4.192762079511253, 3.9092558783691875 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Pa", "Al", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.1, 0.2 ]
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2.065211
3.308352
pbe
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35de4e578647cb477828cbfd492df485_225_Rb2Pa1Al1O6
[ "Al", "Ni", "Y", "Zn" ]
18
A12B3C2D
AlNi12Y2Zn3
Y2 Al1 Zn3 Ni12
4
[ 1, 1, 1 ]
3
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agm004498575
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[ "Y", "Y", "Al", "Zn", "Zn", "Zn", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
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0.000001
12.925224
pbe
true
17fb2a1203d6230cd56f089764e66eab_166_Y2Al1Zn3Ni12
[ "As", "Au", "Cl", "O" ]
4
ABCD
AsAuClO
As1 Au1 Cl1 O1
4
[ 1, 1, 1 ]
3
[ [ 2.99345029, -0.02360148, -0.00576937 ], [ 1.44480275, 3.14258181, -0.04316921 ], [ 0.43388028, 0.03118402, 10.00364872 ] ]
agm002115980
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[ "As", "Au", "Cl", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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-15.483326
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-0.000002
0.39352
pbe
true
a63c3bc837d6e1bd73cf8beb6c6f9abe_1_As1Au1Cl1O1
[ "As", "B", "P", "Re" ]
8
ABCD
AsBPRe
Re2 B2 As2 P2
4
[ 1, 1, 1 ]
3
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agm002123407
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[ "Re", "Re", "As", "As", "B", "B", "P", "P" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.26083273, 0, 0.02378921 ], [ 0, 0.608134, 0 ], [ 0.02378969, 0, 0.74332947 ] ]
-56.540353
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[ [ -0.00945618, 0, 0.00248195 ], [ -0.00945618, 0, 0.00248195 ], [ 0.00494985, 0, 0.00106929 ], [ 0.00494985, 0, 0.00106929 ], [ 0.00621399, 0, -0.00070991 ], [ 0.00621399, 0, -0.00070991 ], [ -0.00170766, 0, -0.00284133 ], [ -0.00170766, 0, -0.00284133 ] ]
-0.000154
2.488607
pbe
true
8ab2170c42e1833e86b576c6a451ede6_8_Re2B2As2P2
[ "As", "B", "Se", "Tc" ]
5
A2BCD
AsBSe2Tc
Tc1 B1 As1 Se2
4
[ 1, 1, 1 ]
3
[ [ 4.91540479, 0, 0 ], [ 0, 4.91540479, 0 ], [ 0, 0, 4.7471301 ] ]
agm001786595
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
[ "As", "B", "Tc", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-22.340842
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0.000001
5.635212
pbe
true
fbeea9097d29244b03d98a6e66890bf0_123_Tc1B1As1Se2
[ "As", "Ba", "F", "Li" ]
9
A6BCD
AsBaF6Li
Ba1 Li1 As1 F6
4
[ 1, 1, 1 ]
3
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agm005097279
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Ba", "Li", "As", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]
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-45.446669
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0
0
pbe
true
382a9484a40339f6262dec9b5b9d0d45_5_Ba1Li1As1F6
[ "As", "Ba", "Nd", "Pa" ]
12
A6B3C2D
As6Ba3Nd2Pa
Ba3 Nd2 Pa1 As6
4
[ 1, 1, 1 ]
3
[ [ 7.65016195, -0.00325254, -0.00159619 ], [ -3.82603622, 6.62468379, -0.00159619 ], [ -1.27717827, -2.21142, 7.49323999 ] ]
agm004648389
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"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"]}]
[ "Ba", "Ba", "Ba", "Nd", "Nd", "Pa", "As", "As", "As", "As", "As", "As" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.16666666666666666, 0.08333333333333333 ]
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-67.121719
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0.000003
11.019358
pbe
true
016ae51c3408b7379a3591e1f6693556_12_Ba3Nd2Pa1As6
[ "As", "Ba", "O", "Rb" ]
11
A6B2C2D
As2BaO6Rb2
Rb2 Ba1 As2 O6
4
[ 1, 1, 1 ]
3
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agm004571445
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Rb", "Rb", "Ba", "As", "As", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.09090909090909091, 0.5454545454545454, 0.18181818181818182 ]
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-62.777776
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0
0
pbe
true
6274c14e6ef2a411319e12078552c798_12_Rb2Ba1As2O6
[ "As", "Ba", "Pd", "Sb" ]
10
A6B2CD
AsBa2Pd6Sb
Ba2 Sb1 As1 Pd6
4
[ 1, 1, 1 ]
3
[ [ 6.78812374, -0.00532875, -0.00220123 ], [ 0.00523506, 7.09845627, -0.22168821 ], [ 3.39740751, 3.39583456, 4.79822639 ] ]
agm004932726
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Ba", "Ba", "Sb", "As", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.6, 0.1 ]
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-50.183338
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-0.000013
6.080556
pbe
true
bc1e372554a6d8b66505b4f00cdbbe01_12_Ba2Sb1As1Pd6
[ "As", "Ba", "Pb", "Sn" ]
9
A4B2C2D
As4Ba2PbSn2
Ba2 Sn2 As4 Pb1
4
[ 1, 1, 1 ]
3
[ [ 5.30628052, 0, 0 ], [ -2.65314026, 7.99089892, 0.46553216 ], [ 0, -2.35234816, 6.31277843 ] ]
agm004559188
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "Ba", "Ba", "Sn", "Sn", "As", "As", "As", "As", "Pb" ]
2023-11-16 06:57:59
[ 0.4444444444444444, 0.2222222222222222, 0.1111111111111111, 0.2222222222222222 ]
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-38.586797
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[ [ 0, 0.00043711, 0.00443058 ], [ 0, -0.00043711, -0.00443058 ], [ 0, -0.00203152, -0.00355985 ], [ 0, 0.00203152, 0.00355985 ], [ 0, 0.00404718, -0.0015448 ], [ 0, -0.00404718, 0.0015448 ], [ 0, 0.00248831, -0.00022175 ], [ 0, -0.00248831, 0.00022175 ], [ 0, 0, 0 ] ]
0.000002
2.802686
pbe
true
d3b63bd5282e747a795a240d66b17f00_12_Ba2Sn2As4Pb1
[ "As", "Ba", "Se", "Ti" ]
5
A2BCD
AsBaSe2Ti
Ba1 Ti1 As1 Se2
4
[ 1, 1, 1 ]
3
[ [ 5.10530896, 0, 0 ], [ 0, 5.10530896, 0 ], [ 0, 0, 4.9988147 ] ]
agm001789731
[ [ 0, 0, 2.49940735 ], [ 2.55265448, 2.55265448, 2.49940735 ], [ 0, 2.55265448, 0 ], [ 2.55265448, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "As", "Ba", "Se", "Se", "Ti" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.7712244, 0, 0 ], [ 0, 0.7712244, 0 ], [ 0, 0, 0.7311857 ] ]
-27.054172
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.18127
pbe
true
b14bbc70211bc92c6649532578f96257_123_Ba1Ti1As1Se2
[ "As", "Be", "Br", "Rb" ]
5
A2BCD
As2BeBrRb
Rb1 Be1 As2 Br1
4
[ 1, 1, 1 ]
3
[ [ 7.5993953, 0, 0 ], [ 0, 7.5993953, 0 ], [ 0, 0, 6.32889895 ] ]
agm001672256
[ [ 3.79969765, 3.79969765, 3.164449475 ], [ 0, 3.79969765, 0 ], [ 3.79969765, 0, 0 ], [ 0, 0, 3.164449475 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Be", "As", "As", "Br", "Rb" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.22590983, 0, 0 ], [ 0, 0.22590983, 0 ], [ 0, 0, 0.09468452 ] ]
-8.843806
[ 0.032, 1.235, 1.235, 0.111, 0.022 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.088449
-0.61202
pbe
true
4945c933aa931c9faa68c19c175aac6f_123_Rb1Be1As2Br1
[ "As", "Be", "Ga", "Li" ]
5
A2BCD
AsBe2GaLi
Li1 Be2 Ga1 As1
4
[ 1, 1, 1 ]
3
[ [ 4.26898742, 0, 0 ], [ 0, 4.78858865, 0 ], [ 0, 0, 4.26898742 ] ]
agm001568919
[ [ 0, 0, 2.13449371 ], [ 2.13449371, 0, 0 ], [ 0, 0, 0 ], [ 2.13449371, 2.394294325, 2.13449371 ], [ 0, 2.394294325, 0 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Be", "Be", "As", "Ga", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 3.9422, 0, 0 ], [ 0, 0.11216312, 0 ], [ 0, 0, 3.9422 ] ]
-14.921156
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.797837
pbe
true
97ae514cde698c6c5a2091ef7b9d68cc_123_Li1Be2Ga1As1
[ "As", "Be", "Mg", "N" ]
5
A2BCD
As2BeMgN
Mg1 Be1 As2 N1
4
[ 1, 1, 1 ]
3
[ [ 4.85844078, 0, 0 ], [ 0, 4.56243571, 0 ], [ 0, 0, 4.85844078 ] ]
agm001502681
[ [ 0, 2.281217855, 0 ], [ 0, 0, 2.42922039 ], [ 2.42922039, 0, 0 ], [ 0, 0, 0 ], [ 2.42922039, 2.281217855, 2.42922039 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"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"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Be", "As", "As", "Mg", "N" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.08037745, 0, 0 ], [ 0, 3.943043, 0 ], [ 0, 0, 0.08037745 ] ]
-12.595945
[ -0.008, 0.03, 0.02, -0.003, -0.086 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.064303
4.772354
pbe
true
00139d43393582461ca0b8d7dacedc2e_123_Mg1Be1As2N1
[ "As", "Be", "Mn", "Se" ]
5
A2BCD
As2BeMnSe
Mn1 Be1 As2 Se1
4
[ 1, 1, 1 ]
3
[ [ 4.41138617, 0, 0 ], [ 0, 4.41138617, 0 ], [ 0, 0, 5.29648826 ] ]
agm001675960
[ [ 2.205693085, 2.205693085, 2.64824413 ], [ 0, 2.205693085, 0 ], [ 2.205693085, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.64824413 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}]
[ "Be", "As", "As", "Mn", "Se" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 1.8566542, 0, 0 ], [ 0, 1.8566542, 0 ], [ 0, 0, 2.0505128 ] ]
-22.090978
[ -0.022, -0.091, -0.091, 1.297, -0.034 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.952858
2.972124
pbe
true
dc0c90ab7db30f180610ee674fedd7c2_123_Mn1Be1As2Se1
[ "As", "Bi", "Br", "F" ]
5
A2BCD
As2BiBrF
Bi1 As2 Br1 F1
4
[ 1, 1, 1 ]
3
[ [ 5.66325447, 0, 0 ], [ 0, 5.66325447, 0 ], [ 0, 0, 5.61858273 ] ]
agm001672887
[ [ 0, 2.831627235, 0 ], [ 2.831627235, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.809291365 ], [ 2.831627235, 2.831627235, 2.809291365 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "As", "As", "Bi", "Br", "F" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.22041444, 0, 0 ], [ 0, 0.22041444, 0 ], [ 0, 0, 0.17139053 ] ]
-13.97602
[ 0.636, 0.636, -0.028, 0.099, 0.33 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.207041
7.544793
pbe
true
ecd0d2f7101ef67e0c4a9e2413f9fa52_123_Bi1As2Br1F1
[ "As", "Bi", "Er", "Tm" ]
4
ABCD
AsBiErTm
Er1 Tm1 Bi1 As1
4
[ 1, 1, 1 ]
3
[ [ 4.17618901, -0.00084698, -0.00113811 ], [ -2.08790929, 3.6175035, 0.00013082 ], [ -2.0888108, -1.20586508, 7.28585946 ] ]
agm005201232
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Er", "Tm", "Bi", "As" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.5055821, 0.0472147, 0.08787397 ], [ 0.04721467, 0.4589395, 0.0458098 ], [ 0.0878739, 0.0458099, 0.6521944 ] ]
-21.730744
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[ [ 0.0010506, 0.00047099, -0.00354946 ], [ -0.00077406, -0.00045782, -0.00107645 ], [ 0.00013384, 0.00032126, 0.00119081 ], [ -0.00041038, -0.00033444, 0.0034351 ] ]
0.000012
1.31371
pbe
true
bace8fa7d1bfb7833fd9943eedb80f53_160_Er1Tm1Bi1As1
[ "As", "Bi", "Ho", "Sb" ]
12
A6B3C2D
As2Bi3Ho6Sb
Ho6 Bi3 Sb1 As2
4
[ 1, 1, 1 ]
3
[ [ 4.3009943, 0, 0 ], [ 0, 8.6875997, 0.27274866 ], [ -2.15049715, -2.54095077, 9.09343012 ] ]
agm004618740
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[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]
[ "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Bi", "Bi", "Bi", "Sb", "As", "As" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.25, 0.5, 0.08333333333333333 ]
[ [ 0.36321044, 0, 0 ], [ 0, 0.3918375, -0.01748945 ], [ 0, -0.01748946, 0.3140946 ] ]
-65.593458
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0
1.994378
pbe
true
4d56623f2969f2289a71eee75c71877c_12_Ho6Bi3Sb1As2