LeMaterial
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LeMat-Bulk
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[ "Ba", "Sb", "Sn", "Te" ]
18
A5B2CD
Ba2SbSnTe5
Ba4 Sn2 Sb2 Te10
4
[ 1, 1, 1 ]
3
[ [ 4.82318818, 0, 0 ], [ -2.41159409, 10.30111393, 0 ], [ 0, 0, 13.83338278 ] ]
agm005155473
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "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"]}]
[ "Ba", "Ba", "Ba", "Ba", "Sn", "Sn", "Sb", "Sb", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.1111111111111111, 0.1111111111111111, 0.5555555555555556 ]
[ [ 0.30987775, 0, 0 ], [ 0, 0.47314712, 0 ], [ 0, 0, 0.34017128 ] ]
-70.888891
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00045931, -0.0017951 ], [ 0, -0.00079054, -0.00123418 ], [ 0, -0.00045931, -0.0017951 ], [ 0, 0.00079054, -0.00123418 ], [ 0, -0.00015479, 0.00128733 ], [ 0, 0.00015479, 0.00128733 ], [ 0, 0.00201553, 0.00203786 ], [ 0, -0.00201553, 0.00203786 ], [ 0, 0.00319915, -0.00079725 ], [ 0, -0.00067153, 0.0038489 ], [ 0, 0.00102085, 0.00376439 ], [ 0, -0.00257115, -0.00350677 ], [ 0, -0.00178803, -0.00360518 ], [ 0, -0.00319915, -0.00079725 ], [ 0, 0.00067153, 0.0038489 ], [ 0, -0.00102085, 0.00376439 ], [ 0, 0.00257115, -0.00350677 ], [ 0, 0.00178803, -0.00360518 ] ]
0.000001
4.200878
pbe
true
3041b52f38941e293c943174557de7a0_36_Ba4Sn2Sb2Te10
[ "Be", "Bi", "Hg", "Na" ]
5
A2BCD
BeBiHg2Na
Na1 Be1 Hg2 Bi1
4
[ 1, 1, 1 ]
3
[ [ 4.89041858, 0, 0 ], [ 0, 4.89041858, 0 ], [ 0, 0, 5.30924637 ] ]
agm001657559
[ [ 2.44520929, 2.44520929, 2.654623185 ], [ 0, 0, 0 ], [ 0, 0, 2.654623185 ], [ 0, 2.44520929, 0 ], [ 2.44520929, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Na", "Be", "Bi", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.99993336, 0, 0 ], [ 0, 0.99993336, 0 ], [ 0, 0, 0.79194254 ] ]
-9.132113
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
1.908012
pbe
true
54fcc85636f057e46bd55042f23ca4c0_123_Na1Be1Hg2Bi1
[ "Be", "Bi", "Ta", "W" ]
5
A2BCD
BeBi2TaW
Ta1 Be1 Bi2 W1
4
[ 1, 1, 1 ]
3
[ [ 4.85475659, 0, 0 ], [ 0, 4.4041841, 0 ], [ 0, 0, 4.85475659 ] ]
agm001531468
[ [ 0, 0, 0 ], [ 0, 0, 2.427378295 ], [ 2.427378295, 0, 0 ], [ 2.427378295, 2.20209205, 2.427378295 ], [ 0, 2.20209205, 0 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Be", "Bi", "Bi", "W", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ -0.44309872, 0, 0 ], [ 0, 1.1393529, 0 ], [ 0, 0, -0.44309872 ] ]
-28.950071
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000017
6.021313
pbe
true
03d150f59266c26faadeb5df2d601fe6_123_Ta1Be1Bi2W1
[ "Be", "Ca", "Sb", "Sn" ]
5
A2BCD
Be2CaSbSn
Ca1 Be2 Sn1 Sb1
4
[ 1, 1, 1 ]
3
[ [ 4.58460234, 0, 0 ], [ 0, 6.15581211, 0 ], [ 0, 0, 4.58460234 ] ]
agm001596960
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Sb", "Ca", "Sn", "Be", "Be" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.98799384, 0, 0 ], [ 0, -0.05564216, 0 ], [ 0, 0, 0.98799384 ] ]
-15.106135
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.435643
pbe
true
52f1f185cf96a426fe16ab8137185c38_123_Ca1Be2Sn1Sb1
[ "Be", "Cl", "Cs", "Pt" ]
10
A6B2CD
BeCl6Cs2Pt
Cs2 Be1 Pt1 Cl6
4
[ 1, 1, 1 ]
3
[ [ 6.95223427, 0, 0 ], [ 0, 6.95223427, 0 ], [ 3.47611714, 3.47611714, 5.58505942 ] ]
agm004471935
[ [ 6.9522342725, 3.4761171375, 2.79252971 ], [ 3.4761171375, 6.9522342725, 2.79252971 ], [ 3.476117135, 3.476117135, 0 ], [ 0, 0, 0 ], [ 3.4761171726709583, 3.4761171726709583, 3.2502669381616793 ], [ 6.9522342373290416, 6.9522342373290416, 2.334792481838321 ], [ 1.9341368800467427, 1.9341368800467427, 0 ], [ 5.018097389953257, 5.018097389953257, 0 ], [ 5.018097389953257, 1.9341368800467427, 0 ], [ 1.9341368800467427, 5.018097389953257, 0 ] ]
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Be", "Pt", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
[ [ -0.27693218, 0, 0 ], [ 0, -0.27693218, 0 ], [ 0, 0, 0.7358493 ] ]
-33.625506
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.01047085 ], [ 0, 0, -0.01047085 ], [ 0.01170297, 0.01170297, 0 ], [ -0.01170297, -0.01170297, 0 ], [ -0.01170297, 0.01170297, 0 ], [ 0.01170297, -0.01170297, 0 ] ]
0.000004
1.119201
pbe
true
68b34d930e7e6745a5feb898d6231eab_139_Cs2Be1Pt1Cl6
[ "Be", "Co", "Fe", "Ta" ]
4
ABCD
BeCoFeTa
Ta1 Be1 Fe1 Co1
4
[ 1, 1, 1 ]
3
[ [ 4.05065408, 0, 0 ], [ 2.02532704, 3.50796933, 0 ], [ 2.02532704, 1.16932311, 3.30734521 ] ]
agm001391425
[ [ 2.02532704, 1.16932311, 0.8268363025 ], [ 4.05065408, 2.33864622, 1.653672605 ], [ 0, 0, 0 ], [ 6.075981120000001, 3.50796933, 2.4805089075 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Be", "Co", "Fe", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 5.200792, 0, 0 ], [ 0, 5.200792, 0 ], [ 0, 0, 5.200792 ] ]
-32.116954
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000013
0.582798
pbe
true
723e936e36b1ed96c520d8da1d02d7c1_216_Ta1Be1Fe1Co1
[ "Be", "Co", "Ge", "Pu" ]
10
A4B3C2D
Be4CoGe3Pu2
Pu2 Be4 Co1 Ge3
4
[ 1, 1, 1 ]
3
[ [ 3.92369159, 0, 0 ], [ 0, 3.92369159, 0 ], [ 0, 0, 9.56119352 ] ]
agm004513314
[ [ 1.961845795, 0, 2.4795943819845583 ], [ 0, 1.961845795, 7.0815991380154415 ], [ 1.961845795, 1.961845795, 0 ], [ 0, 0, 0 ], [ 1.961845795, 0, 5.955259849928242 ], [ 0, 1.961845795, 3.6059336700717575 ], [ 1.961845795, 1.961845795, 4.78059676 ], [ 0, 0, 4.78059676 ], [ 1.961845795, 0, 8.260281849311427 ], [ 0, 1.961845795, 1.3009116706885728 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Pu", "Pu", "Be", "Be", "Be", "Be", "Co", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
[ 0.4, 0.1, 0.3, 0.2 ]
[ [ 1.5723754, 0, 0 ], [ 0, 1.5723754, 0 ], [ 0, 0, 1.6501251 ] ]
-67.049727
[ 5.178, 5.178, 0.002, -0.003, 0.021, 0.021, -0.807, -0.06, -0.062, -0.062 ]
[ [ 0, 0, 0.00200159 ], [ 0, 0, -0.00200159 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00977379 ], [ 0, 0, 0.00977379 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00319582 ], [ 0, 0, 0.00319582 ] ]
10.174042
18.769299
pbe
true
0bb78a8e55c3a31e9cace748b8f2e31e_115_Pu2Be4Co1Ge3
[ "Be", "Co", "Li", "Rb" ]
5
A2BCD
BeCoLi2Rb
Rb1 Li2 Be1 Co1
4
[ 1, 1, 1 ]
3
[ [ 4.96786017, 0, 0 ], [ 0, 6.12342791, 0 ], [ 0, 0, 4.96786017 ] ]
agm001506560
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"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", "Co", "Rb", "Li", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.6667403, 0, 0 ], [ 0, 0.4682582, 0 ], [ 0, 0, 0.6667403 ] ]
-9.585594
[ -0.033, 1.613, -0.007, -0.019, -0.017 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.262021
9.567653
pbe
true
57de7ebaa167ae62d1ced4c71866227c_123_Rb1Li2Be1Co1
[ "Be", "Co", "Li", "Ru" ]
5
A2BCD
BeCoLi2Ru
Li2 Be1 Co1 Ru1
4
[ 1, 1, 1 ]
3
[ [ 3.97266547, 0, 0 ], [ 0, 4.19143537, 0 ], [ 0, 0, 3.97266547 ] ]
agm001515902
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Ru", "Li", "Li", "Co", "Be" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.1089916, 0, 0 ], [ 0, 0.67329955, 0 ], [ 0, 0, 1.1089916 ] ]
-20.433939
[ 0.721, -0.026, -0.004, 2.092, 0.01 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.765569
3.90177
pbe
true
b9f7af9eeb853516b62a433297c0ef86_123_Li2Be1Co1Ru1
[ "Be", "Co", "P", "Si" ]
5
A2BCD
Be2CoPSi
Be2 Co1 Si1 P1
4
[ 1, 1, 1 ]
3
[ [ 4.11896659, 0, 0 ], [ 0, 4.03921377, 0 ], [ 0, 0, 4.11896659 ] ]
agm001559488
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"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", "Si", "Co", "Be", "Be" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ -1.7397534, 0, 0 ], [ 0, 6.3005695, 0 ], [ 0, 0, -1.7397534 ] ]
-22.774612
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.434997
pbe
true
fe18260a50cb9edfd1e496c10db150c2_123_Be2Co1Si1P1
[ "Be", "Cr", "F", "In" ]
9
A6BCD
BeCrF6In
Be1 Cr1 In1 F6
4
[ 1, 1, 1 ]
3
[ [ 4.98018612, 0.00006677, 0.0012837 ], [ 2.49019107, 4.31273331, 0.00070058 ], [ -0.00357622, -0.00017559, 6.14876613 ] ]
agm005097446
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Be", "Cr", "In", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]
[ [ 1.9565016, -0.00598192, -0.00143156 ], [ -0.00598185, 1.9852139, -0.0020212 ], [ -0.00143175, -0.00202119, 2.0050852 ] ]
-48.419165
[ 0.005, 2.952, -0.009, -0.005, -0.005, -0.005, -0.005, -0.005, -0.005 ]
[ [ -0.00021345, 0.00007232, 0.0002932 ], [ -0.00011103, -0.00118349, 0.00122004 ], [ 5.9e-7, -0.00040372, -0.00014702 ], [ -0.00067876, 0.00330309, -0.00173698 ], [ 0.00159508, -0.00272382, 0.00180625 ], [ 0.00109618, 0.00348391, 0.001343 ], [ -0.0040278, -0.00012542, 0.00219042 ], [ 0.00367578, -0.00014553, -0.00267281 ], [ -0.00133659, -0.00227734, -0.0022961 ] ]
2.987455
0
pbe
true
1af3784754611f2cfe1e19f718861e87_149_Be1Cr1In1F6
[ "Be", "Cr", "Np", "O" ]
18
A6BCD
BeCrNpO6
Np2 Be2 Cr2 O12
4
[ 1, 1, 1 ]
3
[ [ 4.66579428, 0, 0 ], [ 0, 4.66579428, 0 ], [ 0, 0, 8.93680975 ] ]
agm005081573
[ [ 2.33289714, 2.33289714, 1.4751458326782925 ], [ 0, 0, 5.943550707678293 ], [ 2.33289714, 2.33289714, 7.351322021019433 ], [ 0, 0, 2.8829171460194325 ], [ 2.33289714, 2.33289714, 4.512889007315892 ], [ 0, 0, 0.0444841323158925 ], [ 0.89094041645742, 3.77485386354258, 4.386853447515935 ], [ 3.77485386354258, 0.89094041645742, 4.386853447515935 ], [ 1.44195672354258, 1.44195672354258, 8.855258322515935 ], [ 3.22383755645742, 3.22383755645742, 8.855258322515935 ], [ 0.8560721892758951, 3.809722090724105, 1.6012258977908052 ], [ 3.809722090724105, 0.8560721892758951, 1.6012258977908052 ], [ 1.4768249507241047, 1.4768249507241047, 6.069630772790805 ], [ 3.188969329275895, 3.188969329275895, 6.069630772790805 ], [ 3.7396328089976016, 0.9261614710023984, 7.450068674775375 ], [ 0.9261614710023984, 3.7396328089976016, 7.450068674775375 ], [ 3.2590586110023985, 3.2590586110023985, 2.981663799775375 ], [ 1.4067356689976018, 1.4067356689976018, 2.981663799775375 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
[ "Np", "Np", "Be", "Be", "Cr", "Cr", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.1111111111111111, 0.6666666666666666 ]
[ [ 1.1622219, 0, 0 ], [ 0, 1.1622219, 0 ], [ 0, 0, 1.1453093 ] ]
-147.65573
[ 0.198, 0.198, 0.006, 0.006, 2.914, 2.914, -0.031, -0.031, -0.031, -0.031, -0.036, -0.036, -0.036, -0.036, -0.028, -0.028, -0.028, -0.028 ]
[ [ 0, 0, -0.01225529 ], [ 0, 0, -0.01225529 ], [ 0, 0, -0.01184019 ], [ 0, 0, -0.01184019 ], [ 0, 0, 0.01214646 ], [ 0, 0, 0.01214646 ], [ 0.00331073, -0.00331073, -0.001329 ], [ -0.00331073, 0.00331073, -0.001329 ], [ -0.00331073, -0.00331073, -0.001329 ], [ 0.00331073, 0.00331073, -0.001329 ], [ -0.00562178, 0.00562178, 0.00182783 ], [ 0.00562178, -0.00562178, 0.00182783 ], [ 0.00562178, 0.00562178, 0.00182783 ], [ -0.00562178, -0.00562178, 0.00182783 ], [ -0.00256933, 0.00256933, 0.00547569 ], [ 0.00256933, -0.00256933, 0.00547569 ], [ 0.00256933, 0.00256933, 0.00547569 ], [ -0.00256933, -0.00256933, 0.00547569 ] ]
5.988886
-0.439043
pbe
true
beecc1794528ba380745000d4e82875a_102_Np2Be2Cr2O12
[ "Be", "Cs", "Dy", "Se" ]
12
A3BCD
BeCsDySe3
Cs2 Dy2 Be2 Se6
4
[ 1, 1, 1 ]
3
[ [ 4.05403281, 0, 0 ], [ 0, 9.91606351, -0.64339202 ], [ 0, -3.25920914, 9.39059509 ] ]
agm005025616
[ [ 1.0135082025, 1.3225087090250585, 2.143976242290118 ], [ 3.0405246075, 5.334345660974943, 6.603226827709882 ], [ 1.0135082025, 6.16398518227632, 0.9197563885772508 ], [ 3.0405246075, 0.49286918772368077, 7.8274466814227495 ], [ 1.0135082025, -1.2113307111302765, 5.645309169216101 ], [ 3.0405246075, 7.868185081130277, 3.1018939007838986 ], [ 3.0405246075, 8.190819221502169, 0.9133381217253104 ], [ 1.0135082025, -1.533964851502167, 7.833864948274689 ], [ 1.0135082025, 6.774190713946997, 3.813794247999034 ], [ 3.0405246075, -0.11733634394699474, 4.933408822000965 ], [ 3.0405246075, 4.186170222828179, 1.2384221716592472 ], [ 1.0135082025, 2.470684147171821, 7.508780898340753 ] ]
[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Dy", "Dy", "Be", "Be", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ -0.13407049, 0, 0 ], [ 0, -0.09367541, 0.01488522 ], [ 0, 0.01488525, 0.15698671 ] ]
-56.168827
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00174331, -0.00243192 ], [ 0, -0.00174331, 0.00243192 ], [ 0, -0.00221816, 0.00275387 ], [ 0, 0.00221816, -0.00275387 ], [ 0, 0.00446955, -0.00733326 ], [ 0, -0.00446955, 0.00733326 ], [ 0, -0.00129673, 0.00197597 ], [ 0, 0.00129673, -0.00197597 ], [ 0, -0.00087848, 0.0030173 ], [ 0, 0.00087848, -0.0030173 ], [ 0, -0.00257321, -0.00139159 ], [ 0, 0.00257321, 0.00139159 ] ]
0.000001
0
pbe
true
36b078c0e9697c3c4747bc3b71079ec8_11_Cs2Dy2Be2Se6
[ "Be", "Cu", "Ga", "Th" ]
8
A4B2CD
BeCu4Ga2Th
Th1 Be1 Ga2 Cu4
4
[ 1, 1, 1 ]
3
[ [ 4.11701763, 0, 0 ], [ 2.05850881, 3.56544185, 0 ], [ 2.05850881, 1.18848062, 8.36398043 ] ]
agm004797787
[ [ 0, 0, 0 ], [ 4.117017625000001, 2.376961235, 4.181990215 ], [ 6.1755264375766235, 3.565441852423378, 6.080725348108936 ], [ 2.058508812423378, 1.1884806175766223, 2.2832550818910637 ], [ 4.117017603516472, 2.376961224013634, 6.436351508296607 ], [ 6.175526438614663, 3.565441851385337, 3.476080219844712 ], [ 2.0585088113853374, 1.1884806186146628, 4.887900210155289 ], [ 4.117017646483529, 2.376961245986366, 1.9276289217033926 ] ]
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Th", "Be", "Ga", "Ga", "Cu", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.125, 0.5, 0.25, 0.125 ]
[ [ -4.7580614, 0, 0 ], [ 0, -4.7580614, 0 ], [ 0, 0, -5.0479517 ] ]
-35.184429
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00156961 ], [ 0, 0, -0.00156961 ], [ 0, 0, 0.00283424 ], [ 0, 0, -0.00232082 ], [ 0, 0, 0.00232082 ], [ 0, 0, -0.00283424 ] ]
0
2.987492
pbe
true
42bc58c6f6b1178ce64bba8843fac006_166_Th1Be1Ga2Cu4
[ "Be", "Cu", "N", "Te" ]
5
A2BCD
BeCuNTe2
Be1 Cu1 Te2 N1
4
[ 1, 1, 1 ]
3
[ [ 5.31095655, 0, 0 ], [ 0, 5.31095655, 0 ], [ 0, 0, 3.48888442 ] ]
agm001801824
[ [ 2.655478275, 2.655478275, 1.74444221 ], [ 0, 2.655478275, 0 ], [ 2.655478275, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 1.74444221 ] ]
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Be", "Te", "Te", "Cu", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.14633997, 0, 0 ], [ 0, 0.14633997, 0 ], [ 0, 0, -0.04596007 ] ]
-17.207156
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
3.27512
pbe
true
36fd12ff4189ef45dbce1e1e752f4510_123_Be1Cu1Te2N1
[ "Be", "Dy", "In", "Lu" ]
4
ABCD
BeDyInLu
Dy1 Lu1 Be1 In1
4
[ 1, 1, 1 ]
3
[ [ 5.05746155, 0, 0 ], [ 2.52873078, 4.37989018, 0 ], [ 2.52873078, 1.45996339, 4.12940007 ] ]
agm001397469
[ [ 0, 0, 0 ], [ 7.5861923325000005, 4.3798901775, 3.0970500525 ], [ 5.057461555, 2.9199267850000004, 2.064700035 ], [ 2.5287307775, 1.4599633925000002, 1.0323500175 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Be", "Lu", "In", "Dy" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.5075579, 0, 0 ], [ 0, 0.5075579, 0 ], [ 0, 0, 0.5075579 ] ]
-16.03034
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000843
3.462658
pbe
true
c3f3f8dbf6b448b10911571cc14c0166_216_Dy1Lu1Be1In1
[ "Be", "Fe", "La", "Nb" ]
5
A2BCD
Be2FeLaNb
La1 Be2 Nb1 Fe1
4
[ 1, 1, 1 ]
3
[ [ 4.62311248, 0, 0 ], [ 0, 4.94854299, 0 ], [ 0, 0, 4.62311248 ] ]
agm001587702
[ [ 0, 0, 2.31155624 ], [ 2.31155624, 0, 0 ], [ 0, 2.474271495, 0 ], [ 2.31155624, 2.474271495, 2.31155624 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
[ "Be", "Be", "Nb", "Fe", "La" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 3.0653806, 0, 0 ], [ 0, -1.0203402, 0 ], [ 0, 0, 3.0653806 ] ]
-18.245791
[ -0.014, -0.047, 0.51, 0.009, 0.027 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.429586
7.946221
pbe
true
9efa8f686082eb64f10247a60e25acfb_123_La1Be2Nb1Fe1
[ "Be", "Ge", "I", "Rb" ]
12
A8B2CD
Be2GeI8Rb
Rb1 Be2 Ge1 I8
4
[ 1, 1, 1 ]
3
[ [ 7.09658856, -5.1e-7, 0 ], [ 3.54829472, 6.14582572, 0 ], [ 3.54829443, 2.0486084, 10.87992655 ] ]
agm004892702
[ [ 7.096588855, 4.097216805, 5.439963275 ], [ 3.548294427424974, 2.0486084025750264, 2.475097773902317 ], [ 10.644883282575027, 6.145825207424974, 8.404828776097684 ], [ 0, 0, 0 ], [ 3.548290844376298, 2.048606332751844, 4.853542632305055 ], [ 5.879225178464506, 2.024281355722411, 1.772810918216084 ], [ 10.644886865623702, 6.145827277248157, 6.026383917694946 ], [ 9.500492548374995, 4.079416661969129, 1.772810918216084 ], [ 4.692685161625004, 4.1150169480308705, 9.107115631783916 ], [ 5.910059479673209, 6.1879585465042375, 1.772810918216084 ], [ 8.28311823032679, 2.006475063495763, 9.107115631783916 ], [ 8.313952531535493, 6.170152254277589, 9.107115631783916 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"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"]}]
[ "Rb", "Be", "Be", "Ge", "I", "I", "I", "I", "I", "I", "I", "I" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.08333333333333333, 0.6666666666666666, 0.08333333333333333 ]
[ [ 0.06136498, 3.1e-7, 0 ], [ -3.1e-7, 0.06136498, 0 ], [ 0, 0, 0.19809444 ] ]
-31.83903
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00073879 ], [ 0, 0, -0.00073879 ], [ 0, 0, 0 ], [ 0, 0, -0.00341831 ], [ -0.00237145, -0.00039387, -0.00134174 ], [ 0, 0, 0.00341831 ], [ 0.00152683, -0.0018568, -0.00134174 ], [ -0.00152683, 0.0018568, 0.00134174 ], [ 0.00084462, 0.00225067, -0.00134174 ], [ -0.00084462, -0.00225067, 0.00134174 ], [ 0.00237145, 0.00039387, 0.00134174 ] ]
-0
10.776191
pbe
true
14eba02d6db703715577d09e9616f2b3_148_Rb1Be2Ge1I8
[ "Be", "Ge", "Ir", "Tb" ]
10
A4B3C2D
Be4Ge3IrTb2
Tb2 Be4 Ge3 Ir1
4
[ 1, 1, 1 ]
3
[ [ 3.88871541, 0, 0 ], [ 0, 3.88871541, 0 ], [ 0, 0, 10.01143536 ] ]
agm004512132
[ [ 1.944357705, 0, 2.504548770288768 ], [ 0, 1.944357705, 7.5068865897112325 ], [ 1.944357705, 1.944357705, 0 ], [ 0, 0, 0 ], [ 1.944357705, 0, 6.3323283742933345 ], [ 0, 1.944357705, 3.6791069857066656 ], [ 0, 0, 5.00571768 ], [ 1.944357705, 0, 8.668584415608734 ], [ 0, 1.944357705, 1.3428509443912655 ], [ 1.944357705, 1.944357705, 5.00571768 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Tb", "Tb", "Be", "Be", "Be", "Be", "Ge", "Ge", "Ge", "Ir" ]
2023-11-16 06:57:59
[ 0.4, 0.3, 0.1, 0.2 ]
[ [ 1.5599531, 0, 0 ], [ 0, 1.5599531, 0 ], [ 0, 0, 0.9605996 ] ]
-51.827024
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00156182 ], [ 0, 0, -0.00156182 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.01664823 ], [ 0, 0, -0.01664823 ], [ 0, 0, 0 ], [ 0, 0, -0.00041586 ], [ 0, 0, 0.00041586 ], [ 0, 0, 0 ] ]
0
5.006156
pbe
true
b95796dd5b853fbc3964e88db2300a83_115_Tb2Be4Ge3Ir1
[ "Be", "Ge", "Pu", "Ru" ]
10
A4B3C2D
Be3Ge4Pu2Ru
Pu2 Be3 Ge4 Ru1
4
[ 1, 1, 1 ]
3
[ [ 4.04499109, 0, 0 ], [ 0, 4.04499109, 0 ], [ 0, 0, 9.86825224 ] ]
agm004508386
[ [ 2.022495545, 0, 2.3915433979402505 ], [ 0, 2.022495545, 7.476708842059749 ], [ 0, 0, 4.93412612 ], [ 2.022495545, 0, 8.609994422457367 ], [ 0, 2.022495545, 1.2582578175426338 ], [ 2.022495545, 2.022495545, 0 ], [ 0, 0, 0 ], [ 2.022495545, 0, 6.32901798177227 ], [ 0, 2.022495545, 3.53923425822773 ], [ 2.022495545, 2.022495545, 4.93412612 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Pu", "Pu", "Be", "Be", "Be", "Ge", "Ge", "Ge", "Ge", "Ru" ]
2023-11-16 06:57:59
[ 0.3, 0.4, 0.2, 0.1 ]
[ [ 1.5814383, 0, 0 ], [ 0, 1.5814383, 0 ], [ 0, 0, 2.3219755 ] ]
-70.253832
[ 5.212, 5.212, -0.023, -0.02, -0.02, -0.015, -0.02, -0.012, -0.012, -0.119 ]
[ [ 0, 0, -0.00170876 ], [ 0, 0, 0.00170876 ], [ 0, 0, 0 ], [ 0, 0, -0.00727787 ], [ 0, 0, 0.00727787 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.01731748 ], [ 0, 0, -0.01731748 ], [ 0, 0, 0 ] ]
10.779896
16.904694
pbe
true
504a7bf1ff3c8830710510bd8c40a9e0_115_Pu2Be3Ge4Ru1
[ "Be", "Ho", "Mg", "Zn" ]
4
ABCD
BeHoMgZn
Ho1 Mg1 Be1 Zn1
4
[ 1, 1, 1 ]
3
[ [ 4.69081152, 0, 0 ], [ 2.34540576, 4.06236194, 0 ], [ 2.34540576, 1.35412065, 3.83003157 ] ]
agm001369493
[ [ 2.34540576, 1.3541206474999998, 0.9575078925 ], [ 4.69081152, 2.7082412949999997, 1.915015785 ], [ 0, 0, 0 ], [ 7.036217279999999, 4.0623619425, 2.8725236775000003 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"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"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Mg", "Be", "Zn", "Ho" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 1.7813617, 0, 0 ], [ 0, 1.7813617, 0 ], [ 0, 0, 1.7813617 ] ]
-11.573525
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000012
1.999737
pbe
true
001bfe567cfd7690e41cdacd4988997c_216_Ho1Mg1Be1Zn1
[ "Be", "Ir", "N", "Y" ]
8
ABCD
BeIrNY
Y2 Be2 Ir2 N2
4
[ 1, 1, 1 ]
3
[ [ 3.68984943, 0, 0 ], [ 0, 3.68984943, 0 ], [ 0, 0, 8.10636234 ] ]
agm005209460
[ [ 0, 1.844924715, 6.8525478722000175 ], [ 1.844924715, 0, 1.253814467799983 ], [ 0, 1.844924715, 2.6267064534935383 ], [ 1.844924715, 0, 5.479655886506462 ], [ 0, 0, 4.05318117 ], [ 1.844924715, 1.844924715, 4.05318117 ], [ 1.844924715, 0, 7.075965622316667 ], [ 0, 1.844924715, 1.0303967176833342 ] ]
[{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Be", "Be", "Ir", "Ir", "N", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.5617791, 0, 0 ], [ 0, 0.5617791, 0 ], [ 0, 0, 0.23893993 ] ]
-63.028345
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00098374 ], [ 0, 0, -0.00098374 ], [ 0, 0, -0.00908016 ], [ 0, 0, 0.00908016 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00407572 ], [ 0, 0, -0.00407572 ] ]
0
2.396948
pbe
true
f016190684fc6980f1e0dc1f01654cb5_129_Y2Be2Ir2N2
[ "Be", "K", "Np", "Se" ]
16
A8B4C3D
BeK4Np3Se8
K4 Np3 Be1 Se8
4
[ 1, 1, 1 ]
3
[ [ 8.29395766, 0, 0 ], [ 0, 9.02740341, 0.3992151 ], [ -4.14697883, -4.20960394, 6.05326849 ] ]
agm004723474
[ [ 4.14697883, 0, 0 ], [ 2.073489415, -2.10480197, 3.026634245 ], [ 0, 0, 0 ], [ -2.073489415, -2.10480197, 3.026634245 ], [ 4.14697883, 4.513701705, 0.19960755 ], [ 2.073489415, 2.408899735, 3.226241795 ], [ -2.073489415, 2.408899735, 3.226241795 ], [ 0, 4.513701705, 0.19960755 ], [ -2.3211864699660616, 2.074290496697493, 6.135561201468609 ], [ -4.146978828119245e-8, 4.36488382064334, 3.267568814659748 ], [ 4.1469788030196174e-8, 0.3989632157114653, 3.3184106242903257 ], [ 2.3211864699660616, 2.074290496697493, 6.135561201468609 ], [ 1.8257923600339385, 2.7435089733025064, 0.31692238853139093 ], [ 4.1469787885302125, 4.418836254288535, 3.134072965709674 ], [ 4.146978871469789, 0.4529156493566597, 3.184914775340252 ], [ 6.468165299966062, 2.7435089733025064, 0.31692238853139093 ] ]
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
[ "K", "K", "K", "K", "Np", "Np", "Np", "Be", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.0625, 0.25, 0.1875, 0.5 ]
[ [ 0.11197619, 0, 0 ], [ 0, 0.10763136, 0.04033756 ], [ 0, 0.04033671, 0.13216215 ] ]
-91.770811
[ 0.001, 0.003, -0.004, 0.003, 3.75, -3.686, -3.686, -0.001, -0.001, 0.078, 0.03, -0.001, -0.001, 0.03, 0.078, -0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00032302, -0.00101628, -0.00265527 ], [ 0, 0.00230378, 0.00361633 ], [ 0, -0.0029397, 0.00096615 ], [ -0.00032302, -0.00101628, -0.00265527 ], [ 0.00032302, 0.00101628, 0.00265527 ], [ 0, 0.0029397, -0.00096615 ], [ 0, -0.00230378, -0.00361633 ], [ -0.00032302, 0.00101628, 0.00265527 ] ]
-3.469053
22.932226
pbe
true
3fedc68503712b850436f33de703fd92_12_K4Np3Be1Se8
[ "Be", "Mn", "Na", "Te" ]
12
A3BCD
BeMnNaTe3
Na2 Mn2 Be2 Te6
4
[ 1, 1, 1 ]
3
[ [ 3.93632927, 0, 0 ], [ 0, 7.66557513, 0.16308268 ], [ 0, -3.59623948, 10.96136334 ] ]
agm005041949
[ [ 0.9840823175, 1.1284447434029985, 3.514221345278605 ], [ 2.9522469525, 2.9408909065970015, 7.610224674721396 ], [ 0.9840823175, 4.57289478909419, 1.529594516824416 ], [ 2.9522469525, -0.5035591390941904, 9.594851503175585 ], [ 0.9840823175, -1.4499369101524866, 6.495039681054758 ], [ 2.9522469525, 5.519272560152487, 4.629406338945242 ], [ 2.9522469525, 6.269838125883619, 2.2915446057410827 ], [ 0.9840823175, -2.2005024758836185, 8.832901414258917 ], [ 0.9840823175, 4.141556621970916, 5.2063992350434445 ], [ 2.9522469525, -0.07222097197091656, 5.918046784956556 ], [ 2.9522469525, 2.696094966230509, 1.4245338091356685 ], [ 0.9840823175, 1.3732406837694902, 9.699912210864332 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Na", "Na", "Mn", "Mn", "Be", "Be", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ 1.6185788, 0, 0 ], [ 0, 1.6393485, -0.0232582 ], [ 0, -0.02325828, 1.7342998 ] ]
-51.84862
[ 0.005, 0.005, 3.802, 3.802, 0.016, 0.016, -0.076, -0.076, 0.01, 0.01, -0.06, -0.06 ]
[ [ 0, 0.00070589, -0.00059848 ], [ 0, -0.00070589, 0.00059848 ], [ 0, 0.00082824, 0.00169104 ], [ 0, -0.00082824, -0.00169104 ], [ 0, 0.0019546, -0.00742468 ], [ 0, -0.0019546, 0.00742468 ], [ 0, -0.00260284, 0.00086924 ], [ 0, 0.00260284, -0.00086924 ], [ 0, -0.00131379, 0.00176534 ], [ 0, 0.00131379, -0.00176534 ], [ 0, -0.0039159, -0.00018817 ], [ 0, 0.0039159, 0.00018817 ] ]
7.996156
2.112951
pbe
true
95ea103bbd325e2773b501a4641809f0_11_Na2Mn2Be2Te6
[ "Be", "Mo", "N", "P" ]
5
A2BCD
BeMo2NP
Be1 Mo2 P1 N1
4
[ 1, 1, 1 ]
3
[ [ 4.41103805, 0, 0 ], [ 0, 3.0493314, 0 ], [ 0, 0, 4.41103805 ] ]
agm001516329
[ [ 2.205519025, 1.5246657, 2.205519025 ], [ 0, 0, 2.205519025 ], [ 2.205519025, 0, 0 ], [ 0, 0, 0 ], [ 0, 1.5246657, 0 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "Mo", "Mo", "Be", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ -1.9649484, 0, 0 ], [ 0, 4.322722, 0 ], [ 0, 0, -1.9649484 ] ]
-36.619351
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000003
4.598626
pbe
true
4301f6684fa45fcd2193646bbf3e9d1a_123_Be1Mo2P1N1
[ "Be", "N", "Sc", "Ti" ]
5
A2BCD
BeNScTi2
Sc1 Ti2 Be1 N1
4
[ 1, 1, 1 ]
3
[ [ 4.08402096, 0, 0 ], [ 0, 4.08402096, 0 ], [ 0, 0, 4.29281996 ] ]
agm001664628
[ [ 0, 0, 2.14640998 ], [ 2.04201048, 2.04201048, 2.14640998 ], [ 0, 0, 0 ], [ 0, 2.04201048, 0 ], [ 2.04201048, 0, 0 ] ]
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Sc", "Be", "N", "Ti", "Ti" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.16289687, 0, 0 ], [ 0, 0.16289687, 0 ], [ 0, 0, 0.11619563 ] ]
-37.886448
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000253
3.012097
pbe
true
c299a4cb991126a806ab79c7e5cb5d2b_123_Sc1Ti2Be1N1
[ "Be", "N", "P", "Sr" ]
10
A2BCD
BeNPSr2
Sr4 Be2 P2 N2
4
[ 1, 1, 1 ]
3
[ [ 3.84771681, 0, 0 ], [ 0, 6.5288168, 0.03006917 ], [ 0, -2.7644603, 8.0289555 ] ]
agm005002792
[ [ 2.8857876075, 3.541444366903716, 4.948769933048245 ], [ 2.8857876075, 5.034636276773513, 0.31711011345459433 ], [ 0.9619292025, 0.22291213309628394, 3.1102547369517555 ], [ 0.9619292025, -1.270279776773514, 7.741914556545406 ], [ 0.9619292025, 1.4873199849686, 6.088957131200975 ], [ 2.8857876075, 2.2770365150314, 1.9700675387990256 ], [ 0.9619292025, 3.4352673451269626, 2.378651271095004 ], [ 2.8857876075, 0.3290891548730368, 5.6803733989049965 ], [ 0.9619292025, 2.9619813945332334, 6.6330607088086415 ], [ 2.8857876075, 0.802375105466767, 1.4259639611913588 ] ]
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Sr", "Sr", "Sr", "Sr", "Be", "Be", "P", "P", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.28668734, 0, 0 ], [ 0, 0.33459833, -0.01603641 ], [ 0, -0.01603644, 0.25315934 ] ]
-51.162096
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.0003352, -0.00195721 ], [ 0, 0.00307813, 0.0018 ], [ 0, -0.0003352, 0.00195721 ], [ 0, -0.00307813, -0.0018 ], [ 0, 0.00191325, -0.00153609 ], [ 0, -0.00191325, 0.00153609 ], [ 0, -0.00191392, -0.00093921 ], [ 0, 0.00191392, 0.00093921 ], [ 0, 0.0011447, -0.00145746 ], [ 0, -0.0011447, 0.00145746 ] ]
-0
-0.01058
pbe
true
19dc5065560bc309433c595aaea04943_11_Sr4Be2P2N2
[ "Be", "Ni", "Pm", "Pt" ]
10
A6B2CD
BeNiPm2Pt6
Pm2 Be1 Ni1 Pt6
4
[ 1, 1, 1 ]
3
[ [ 5.66184367, -0.01461562, 0.0003889 ], [ 0.01864904, 7.32064193, 1.20864521 ], [ 2.84214704, 4.46696391, 5.20037373 ] ]
agm004926137
[ [ 5.673610662237281, 4.732895897577453, 3.3885073560753076 ], [ 2.8490311656889924, 7.040087335381532, 3.0208779163255572 ], [ 2.8402460748514162, 3.6530143763620213, 0.6045215395216756 ], [ 5.680492598238504, 7.306026928796588, 1.2090367997619977 ], [ 2.839784675816709, 3.7954891472624914, 2.778277967373376 ], [ 7.147349655725152, 9.72741536692593, 5.918438242491105 ], [ 4.224136497458852, 9.734160457959057, 5.917729201668169 ], [ 4.298503346340751, 2.0388335178849752, 0.4916972382020034 ], [ 1.3752880137019274, 2.045580733338651, 0.49098752090554737 ], [ 5.682855442776469, 7.97750139386325, 3.631136305732748 ] ]
[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Pm", "Pm", "Be", "Ni", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.2, 0.6 ]
[ [ -1.6527315, 0.02294269, -0.04910417 ], [ 0.02294257, -1.9210558, -0.23205388 ], [ -0.0491038, -0.23205382, -1.8587185 ] ]
-62.34042
[ 0, 0, 0, 0.002, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00125807, 0.00246789, -0.00220033 ], [ 0.00125807, -0.00246789, 0.00220033 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00110164, 0.00065964, -0.00037639 ], [ -0.00062161, 0.00077476, 0.00196057 ], [ 0.00334082, 0.001616, 0.00255458 ], [ -0.00334082, -0.001616, -0.00255458 ], [ 0.00062161, -0.00077476, -0.00196057 ], [ -0.00110164, -0.00065964, 0.00037639 ] ]
0.002556
6.115202
pbe
true
b6a46f5ff57e314482397ec3ba5af362_166_Pm2Be1Ni1Pt6
[ "Be", "Ni", "Sr", "Ti" ]
5
A2BCD
BeNi2SrTi
Sr1 Ti1 Be1 Ni2
4
[ 1, 1, 1 ]
3
[ [ 4.55616393, 0, 0 ], [ 0, 4.76464669, 0 ], [ 0, 0, 4.55616393 ] ]
agm001461562
[ [ 2.278081965, 2.382323345, 2.278081965 ], [ 0, 0, 0 ], [ 0, 2.382323345, 0 ], [ 0, 0, 2.278081965 ], [ 2.278081965, 0, 0 ] ]
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Sr", "Ti", "Be", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ -2.3574398, 0, 0 ], [ 0, -2.8310535, 0 ], [ 0, 0, -2.3574398 ] ]
-22.187728
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000185
5.459468
pbe
true
c29c4e125e32459e0c421489314e863b_123_Sr1Ti1Be1Ni2
[ "Be", "O", "Sr", "Te" ]
16
A5BCD
BeO5SrTe
Sr2 Be2 Te2 O10
4
[ 1, 1, 1 ]
3
[ [ 5.60657849, 0.05602691, -0.07020541 ], [ -1.58305029, 5.37873713, -0.07020541 ], [ -1.75911415, -2.37611615, 6.66876234 ] ]
agm005065062
[ [ 0.44157122955263345, 2.9602345666439636, 1.596985175 ], [ 1.8228428204473663, 0.09841332335603659, 4.931366345 ], [ 2.982735384467054, 1.0789301444063737, 1.596985175 ], [ -0.7183213344670536, 1.9797177455936263, 4.931366345 ], [ -0.879557075, -1.188058075, 3.33438117 ], [ 0, 0, 0 ], [ -1.4840373277639223, 4.385823656342178, 1.596985175 ], [ 3.748451377763923, -1.3271757663421782, 4.931366345 ], [ 4.347763617427941, 1.3652635450358765, 0.6574386653107863 ], [ -2.0833495674279408, 1.6933843449641233, 5.870912854689213 ], [ 3.107343737336014, -0.31022846766366174, 2.5365316846892134 ], [ -0.8429296873360137, 3.368876357663662, 3.991819835310786 ], [ 2.6011603039052176, 2.4650871059275654, 2.598692717872896 ], [ -0.3367462539052174, 0.5935607840724351, 3.9296588021271033 ], [ 1.5455659616318935, 1.0392474240489962, 0.5952776321271036 ], [ 0.7188480883681071, 2.019400465951004, 5.933073887872896 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Sr", "Sr", "Be", "Be", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.125, 0.625, 0.125, 0.125 ]
[ [ 0.7507931, 0.11963589, -0.0416296 ], [ 0.11963589, 0.82382053, -0.05623101 ], [ -0.04162953, -0.05623092, 0.96731883 ] ]
-98.019243
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00088574, -0.00065574, 0 ], [ -0.00088574, 0.00065574, 0 ], [ -0.00479646, 0.00355097, 0 ], [ 0.00479646, -0.00355097, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00132523, -0.00098111, 0 ], [ -0.00132523, 0.00098111, 0 ], [ 0.00067956, 0.00094716, -0.00115601 ], [ -0.00067956, -0.00094716, 0.00115601 ], [ -0.00070753, -0.00092645, 0.00115601 ], [ 0.00070753, 0.00092645, -0.00115601 ], [ -0.00069826, 0.0015848, -0.0036211 ], [ 0.00069826, -0.0015848, 0.0036211 ], [ -0.0017196, 0.00020522, 0.0036211 ], [ 0.0017196, -0.00020522, -0.0036211 ] ]
0
0
pbe
true
6a4159664039ece4fa672b6e8a18cfb7_15_Sr2Be2Te2O10
[ "Be", "S", "Te", "Zn" ]
10
A2BCD
BeSTe2Zn
Be2 Zn2 Te4 S2
4
[ 1, 1, 1 ]
3
[ [ 6.56233673, 0, 0.04030409 ], [ 0, 3.2391076, 0 ], [ -6.09497416, 0, 11.74695187 ] ]
agm002040427
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Be", "Be", "Zn", "Zn", "Te", "Te", "Te", "Te", "S", "S" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.82795703, 0, 0.09206476 ], [ 0, 0.71464384, 0 ], [ 0.09206469, 0, 0.79054755 ] ]
-34.175782
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00024705, 0, 0.00633979 ], [ -0.00024705, 0, 0.00633979 ], [ 0.00248486, 0, -0.00377043 ], [ 0.00248486, 0, -0.00377043 ], [ 0.00176773, 0, 0.00451591 ], [ 0.00176773, 0, 0.00451591 ], [ -0.00086735, 0, -0.00453233 ], [ -0.00086735, 0, -0.00453233 ], [ -0.0031382, 0, -0.00255294 ], [ -0.0031382, 0, -0.00255294 ] ]
-0.000041
4.755938
pbe
true
b77567ff0be2ee4d269de25b9d6e21ff_8_Be2Zn2Te4S2
[ "Bi", "Br", "Fe", "O" ]
5
A2BCD
Bi2BrFeO
Fe1 Bi2 Br1 O1
4
[ 1, 1, 1 ]
3
[ [ 5.91927404, 0, 0 ], [ 0, 5.91927404, 0 ], [ 0, 0, 3.73142082 ] ]
agm001426591
[ [ 0, 0, 1.86571041 ], [ 0, 2.95963702, 0 ], [ 2.95963702, 0, 0 ], [ 0, 0, 0 ], [ 2.95963702, 2.95963702, 1.86571041 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "O", "Bi", "Bi", "Br", "Fe" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ -0.71276474, 0, 0 ], [ 0, -0.71276474, 0 ], [ 0, 0, 2.5687473 ] ]
-16.156799
[ 0.001, -0.079, -0.079, 0.015, 3.758 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.775636
2.587562
pbe
true
046ff591bf33205686397ce1c11a8ba7_123_Fe1Bi2Br1O1
[ "Bi", "Br", "Ca", "Se" ]
5
A2BCD
BiBrCaSe2
Ca1 Bi1 Se2 Br1
4
[ 1, 1, 1 ]
3
[ [ 5.60572729, 0, 0 ], [ 0, 5.60572729, 0 ], [ 0, 0, 5.5196503 ] ]
agm001790699
[ [ 2.802863645, 2.802863645, 2.75982515 ], [ 0, 2.802863645, 0 ], [ 2.802863645, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.75982515 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Ca", "Se", "Se", "Bi", "Br" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.25872377, 0, 0 ], [ 0, 0.25872377, 0 ], [ 0, 0, 0.23971826 ] ]
-17.268021
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0.335904
pbe
true
a282d58d7216037ab7d0cf65663ee093_123_Ca1Bi1Se2Br1
[ "Bi", "C", "Cd", "Y" ]
5
A2BCD
BiCCdY2
Y2 Cd1 Bi1 C1
4
[ 1, 1, 1 ]
3
[ [ 4.90215557, 0, 0 ], [ 0, 5.04445364, 0 ], [ 0, 0, 4.90215557 ] ]
agm001577070
[ [ 0, 0, 2.451077785 ], [ 2.451077785, 0, 0 ], [ 0, 0, 0 ], [ 0, 2.52222682, 0 ], [ 2.451077785, 2.52222682, 2.451077785 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "C", "Bi", "Cd" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -1.8873135, 0, 0 ], [ 0, 4.371705, 0 ], [ 0, 0, -1.8873135 ] ]
-27.396292
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.3853
pbe
true
1a3a07340787c1169f1f9ff82c2e8b11_123_Y2Cd1Bi1C1
[ "Bi", "C", "Ir", "La" ]
5
A2BCD
BiC2IrLa
La1 Bi1 Ir1 C2
4
[ 1, 1, 1 ]
3
[ [ 4.52794026, 0, 0 ], [ 0, 5.30676181, 0 ], [ 0, 0, 4.52794026 ] ]
agm001485585
[ [ 0, 0, 2.26397013 ], [ 2.26397013, 0, 0 ], [ 0, 2.653380905, 0 ], [ 2.26397013, 2.653380905, 2.26397013 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "C", "C", "Ir", "Bi", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ -2.5341806, 0, 0 ], [ 0, -2.2763834, 0 ], [ 0, 0, -2.5341806 ] ]
-25.091243
[ 0.188, 0.138, 0.274, -0.051, 0.031 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.890177
5.246307
pbe
true
ffd160a180c554541d0e7f41192b5b7c_123_La1Bi1Ir1C2
[ "Bi", "C", "Se", "Ti" ]
5
A2BCD
BiCSe2Ti
Ti1 Bi1 C1 Se2
4
[ 1, 1, 1 ]
3
[ [ 5.52253292, 0, 0 ], [ 0, 5.42449866, 0 ], [ 0, 0, 5.52253292 ] ]
agm001528322
[ [ 2.76126646, 2.71224933, 2.76126646 ], [ 0, 0, 0 ], [ 0, 0, 2.76126646 ], [ 2.76126646, 0, 0 ], [ 0, 2.71224933, 0 ] ]
[{"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": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "C", "Bi", "Se", "Se", "Ti" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -1.8205137, 0, 0 ], [ 0, -0.55653834, 0 ], [ 0, 0, -1.8205137 ] ]
-17.136178
[ 0.925, 0.011, -0.041, -0.012, -0.06 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.881695
17.808237
pbe
true
ea1c45d7e643e2bba8317a6322511a26_123_Ti1Bi1C1Se2
[ "Bi", "Cd", "Ga", "Rh" ]
5
A2BCD
BiCdGaRh2
Cd1 Ga1 Bi1 Rh2
4
[ 1, 1, 1 ]
3
[ [ 5.04716256, 0, 0 ], [ 0, 5.59835208, 0 ], [ 0, 0, 5.04716256 ] ]
agm001481229
[ [ 0, 0, 2.52358128 ], [ 2.52358128, 0, 0 ], [ 0, 0, 0 ], [ 2.52358128, 2.79917604, 2.52358128 ], [ 0, 2.79917604, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"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": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Rh", "Rh", "Bi", "Ga", "Cd" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 5.859558, 0, 0 ], [ 0, 6.16434, 0 ], [ 0, 0, 5.859558 ] ]
-17.680386
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.868881
pbe
true
d9219f10ad8085e94dc5f762a221118e_123_Cd1Ga1Bi1Rh2
[ "Bi", "Cd", "I", "N" ]
5
A2BCD
BiCdIN2
Cd1 Bi1 I1 N2
4
[ 1, 1, 1 ]
3
[ [ 4.40601882, 0, 0 ], [ 0, 4.40601882, 0 ], [ 0, 0, 7.32451908 ] ]
agm001721848
[ [ 0, 0, 3.66225954 ], [ 0, 2.20300941, 0 ], [ 2.20300941, 0, 0 ], [ 0, 0, 0 ], [ 2.20300941, 2.20300941, 3.66225954 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "I", "N", "N", "Bi", "Cd" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -0.09332217, 0, 0 ], [ 0, -0.09332217, 0 ], [ 0, 0, 0.47460464 ] ]
-16.325849
[ -0.014, 0.624, 0.624, -0.084, -0.003 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.692962
3.13415
pbe
true
abf7fe0c7ef95b1bb66e7cd89bd3ee6d_123_Cd1Bi1I1N2
[ "Bi", "Cd", "O", "U" ]
18
A6BCD
BiCdO6U
U2 Cd2 Bi2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.65935714, 0, 0 ], [ -2.82967857, 4.90114705, 0 ], [ 0, 0, 9.77073707 ] ]
agm005077126
[ [ 2.829678598296786, 1.6337156669961763, 2.4426842675 ], [ -2.8296785742317013e-8, 3.2674313830038235, 7.328052802499999 ], [ -2.8296785742317013e-8, 3.2674313830038235, 2.4426842675 ], [ 2.829678598296786, 1.6337156669961763, 7.328052802499999 ], [ 0, 0, 0 ], [ 0, 0, 4.885368535 ], [ 2.0106375307431383, 3.169014977918649, 1.2821583279095423 ], [ 4.568810111461994, 1.5753714812950368, 1.2821583279095423 ], [ -0.9200905022051327, 4.744396261507786, 6.167526862909542 ], [ -1.7391315414619943, 3.325775568704963, 8.488578742090457 ], [ 1.0905470285380057, 1.5753714812950368, 3.603210207090457 ], [ 3.6487196092568626, 3.169014977918649, 3.603210207090457 ], [ 0.9200905022051324, 4.744396261507786, 8.488578742090457 ], [ 3.7497690722051322, 0.1567507884922135, 3.603210207090457 ], [ -0.8190410392568619, 1.7321320720813502, 6.167526862909542 ], [ 1.9095880677948676, 0.1567507884922135, 1.2821583279095423 ], [ 1.7391315414619943, 3.325775568704963, 6.167526862909542 ], [ 0.8190410392568618, 1.7321320720813502, 8.488578742090457 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
[ "U", "U", "Cd", "Cd", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]
[ [ 0.5266811, 0, 0 ], [ 0, 0.5266811, 0 ], [ 0, 0, 1.2203132 ] ]
-125.633574
[ 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 ], [ 0.00216722, 0.00091636, 0.00221587 ], [ -0.00029002, -0.00233504, 0.00221587 ], [ -0.0018772, -0.00141868, 0.00221587 ], [ 0.00029002, 0.00233504, -0.00221587 ], [ 0.00029002, -0.00233504, -0.00221587 ], [ -0.00216722, 0.00091636, -0.00221587 ], [ 0.0018772, -0.00141868, -0.00221587 ], [ 0.0018772, 0.00141868, -0.00221587 ], [ 0.00216722, -0.00091636, 0.00221587 ], [ -0.0018772, 0.00141868, 0.00221587 ], [ -0.00029002, 0.00233504, 0.00221587 ], [ -0.00216722, -0.00091636, -0.00221587 ] ]
0
7.121618
pbe
true
c17a9354e7da938440aa3900f0e050f2_163_U2Cd2Bi2O12
[ "Bi", "Cl", "Rh", "V" ]
4
ABCD
BiClRhV
V1 Bi1 Rh1 Cl1
4
[ 1, 1, 1 ]
3
[ [ 3.04666921, -0.03306032, 0.00980569 ], [ -1.49788816, 3.20967455, -0.02119099 ], [ -0.02109421, -1.89098696, 9.34399527 ] ]
agm002056163
[ [ -0.4022941486146495, 2.1015264238845814, 4.661772210608827 ], [ 2.63588533558596, -0.011824007633724997, 1.50271346922054 ], [ -0.4113533247500685, 0.5113723130380853, 8.460247549349397 ], [ 1.1210588655824587, 1.6017012157494583, 2.9492620464893378 ] ]
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"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": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Cl", "Rh", "Bi", "V" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.8135405, 0.14205755, -0.03973192 ], [ 0.1420579, 3.6045952, -0.04130979 ], [ -0.03973198, -0.04131008, 3.8606853 ] ]
-23.451768
[ 0, 0, 0, 0.003 ]
[ [ 0.00004868, 0.00232333, -0.00681105 ], [ -0.00048554, 0.00116273, -0.00334591 ], [ 0.00121204, -0.00069625, 0.01016137 ], [ -0.00077518, -0.00278982, -0.0000044 ] ]
0.003022
3.428061
pbe
true
9edaef32b5e5be4d9c8fe4bf0f8adcae_1_V1Bi1Rh1Cl1
[ "Bi", "Cl", "W", "Y" ]
5
A2BCD
BiClWY2
Y2 Bi1 W1 Cl1
4
[ 1, 1, 1 ]
3
[ [ 5.02209106, 0, 0 ], [ 0, 5.42305976, 0 ], [ 0, 0, 5.02209106 ] ]
agm001465241
[ [ 0, 0, 2.51104553 ], [ 2.51104553, 0, 0 ], [ 0, 2.71152988, 0 ], [ 2.51104553, 2.71152988, 2.51104553 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Bi", "W", "Cl" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.6350487, 0, 0 ], [ 0, 0.36470398, 0 ], [ 0, 0, 0.6350487 ] ]
-28.387997
[ -0.14, -0.088, -0.058, 1.849, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.989674
4.373883
pbe
true
f96a40478d7d61897da1231527ee9b40_123_Y2Bi1W1Cl1
[ "Bi", "Co", "Ni", "Pt" ]
5
A2BCD
BiCoNiPt2
Co1 Ni1 Bi1 Pt2
4
[ 1, 1, 1 ]
3
[ [ 5.06658781, 0, 0 ], [ 0, 4.76721377, 0 ], [ 0, 0, 5.06658781 ] ]
agm001527165
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[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Ni", "Co", "Bi", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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-20.827778
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2.444137
7.23045
pbe
true
db23e7f1653968cbc5db7dae2ae5c075_123_Co1Ni1Bi1Pt2
[ "Bi", "Cr", "Np", "O" ]
10
A6B2CD
Bi2CrNpO6
Np1 Cr1 Bi2 O6
4
[ 1, 1, 1 ]
3
[ [ 5.94373046, -0.29417683, -0.04046911 ], [ 2.71299314, 4.98447452, 0.07106941 ], [ 2.8568063, 1.64489522, 4.65497488 ] ]
agm004954389
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
[ "Np", "Cr", "Bi", "Bi", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.1, 0.6 ]
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-75.272338
[ 3.068, 3.085, 0.068, 0.068, -0.029, -0.089, -0.03, -0.089, -0.03, -0.029 ]
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6.222848
7.68721
pbe
true
0fda2b438d2048106e8c2ddaec6cf147_12_Np1Cr1Bi2O6
[ "Bi", "Cu", "Ga", "Tl" ]
5
A2BCD
BiCuGa2Tl
Tl1 Ga2 Cu1 Bi1
4
[ 1, 1, 1 ]
3
[ [ 4.79147849, 0, 0 ], [ 0, 4.79147849, 0 ], [ 0, 0, 5.51688117 ] ]
agm001610079
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Tl", "Cu", "Bi", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -1.1274192, 0, 0 ], [ 0, -1.1274192, 0 ], [ 0, 0, -0.8129418 ] ]
-15.67512
[ 0, 0, 0, 0, 0 ]
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-0
1.794941
pbe
true
d969d0567bd6032f4fe5cd2ef84fa04b_123_Tl1Ga2Cu1Bi1
[ "Bi", "Cu", "Gd", "Pm" ]
4
ABCD
BiCuGdPm
Pm1 Gd1 Cu1 Bi1
4
[ 1, 1, 1 ]
3
[ [ 5.31084817, 0, 0 ], [ 2.65542408, 4.59932943, 0 ], [ 2.65542408, 1.53310981, 4.33628937 ] ]
agm001347006
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[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Gd", "Bi", "Cu", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -1.2560176, 0, 0 ], [ 0, -1.2560176, 0 ], [ 0, 0, -1.2560176 ] ]
-28.292898
[ -7.181, 0.061, -0.011, -0.201 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-7.78167
4.973288
pbe
true
374bf82820880b83a47de89d5790c9c3_216_Pm1Gd1Cu1Bi1
[ "Bi", "Cu", "Pt", "Zn" ]
5
A2BCD
BiCu2PtZn
Zn1 Cu2 Bi1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.92910531, 0, 0 ], [ 0, 5.23837827, 0 ], [ 0, 0, 4.92910531 ] ]
agm001440470
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[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Cu", "Cu", "Bi", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ -2.2585316, 0, 0 ], [ 0, -2.7202632, 0 ], [ 0, 0, -2.2585316 ] ]
-14.80384
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
5.560317
pbe
true
e746abe2a358d49d561be801f997828b_123_Zn1Cu2Bi1Pt1
[ "Bi", "Er", "Ho", "Tm" ]
12
A6B3C2D
Bi6Er3HoTm2
Ho1 Er3 Tm2 Bi6
4
[ 1, 1, 1 ]
3
[ [ 4.4392376, 0, 0 ], [ 0, 8.87716716, 0.32090809 ], [ -2.2196188, -2.55274753, 9.33445083 ] ]
agm004622613
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[{"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": "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"]}]
[ "Ho", "Er", "Er", "Er", "Tm", "Tm", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.08333333333333333, 0.16666666666666666 ]
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-60.172957
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0.001145
1.987238
pbe
true
edff0cc434f7cfcaa402538b3f8fd53f_12_Ho1Er3Tm2Bi6
[ "Bi", "Fe", "Gd", "O" ]
20
A12B4C3D
Bi3Fe4GdO12
Gd1 Fe4 Bi3 O12
4
[ 1, 1, 1 ]
3
[ [ 7.85599408, 0, 0 ], [ 0, 5.46904636, -0.00403089 ], [ 0, 0.01230382, 5.7224092 ] ]
agm005268377
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[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"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": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Gd", "Fe", "Fe", "Fe", "Fe", "Bi", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.15, 0.2, 0.05, 0.6 ]
[ [ 1.1952906, 0, 0 ], [ 0, 0.8671182, 0.04883501 ], [ 0, 0.04883523, 1.175563 ] ]
-140.154166
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13.010169
-0.000008
pbe
true
e142c4cb46ea34dd0eeed76d5d1b4886_6_Gd1Fe4Bi3O12
[ "Bi", "Ga", "Ru", "W" ]
5
A2BCD
BiGaRu2W
Ga1 Bi1 Ru2 W1
4
[ 1, 1, 1 ]
3
[ [ 4.57046399, 0, 0 ], [ 0, 5.0232699, 0 ], [ 0, 0, 4.57046399 ] ]
agm001435617
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[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ru", "Ru", "Ga", "Bi", "W" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -25.139498, 0, 0 ], [ 0, 13.602747, 0 ], [ 0, 0, -25.139498 ] ]
-29.720043
[ -0.316, -0.272, 0.008, -0.052, 1.806 ]
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1.609352
4.130989
pbe
true
846fdd87958434dcec10724df1778e5c_123_Ga1Bi1Ru2W1
[ "Bi", "Ge", "Nb", "Pb" ]
5
A2BCD
BiGe2NbPb
Nb1 Ge2 Bi1 Pb1
4
[ 1, 1, 1 ]
3
[ [ 5.49217471, 0, 0 ], [ 0, 5.42830793, 0 ], [ 0, 0, 5.49217471 ] ]
agm001505268
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Pb", "Nb", "Ge", "Ge", "Bi" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 3.9982455, 0, 0 ], [ 0, -1.4355077, 0 ], [ 0, 0, 3.9982455 ] ]
-20.617433
[ -0.029, 1.939, -0.035, -0.066, -0.052 ]
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2.160062
4.092362
pbe
true
a6a61c2c61b3959944b69094c292460a_123_Nb1Ge2Bi1Pb1
[ "Bi", "Ge", "Sr", "Te" ]
18
A5B2CD
BiGeSr2Te5
Sr4 Ge2 Bi2 Te10
4
[ 1, 1, 1 ]
3
[ [ 4.66488944, 0, 0 ], [ -2.33244472, 10.0972755, 0 ], [ 0, 0, 13.33334511 ] ]
agm005149495
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Sr", "Sr", "Ge", "Ge", "Bi", "Bi", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.1111111111111111, 0.2222222222222222, 0.5555555555555556 ]
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-69.984209
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[ [ 0, 0.00106205, 0.00255772 ], [ 0, 0.0008133, -0.00026317 ], [ 0, -0.00106205, 0.00255772 ], [ 0, -0.0008133, -0.00026317 ], [ 0, -0.00585346, 0.00578939 ], [ 0, 0.00585346, 0.00578939 ], [ 0, 0.00225448, -0.00056502 ], [ 0, -0.00225448, -0.00056502 ], [ 0, 0.00064038, 0.00022262 ], [ 0, 0.00439783, -0.00243368 ], [ 0, -0.0014438, -0.00339569 ], [ 0, 0.00114022, 0.00117369 ], [ 0, 0.00100444, -0.00308587 ], [ 0, -0.00064038, 0.00022262 ], [ 0, -0.00439783, -0.00243368 ], [ 0, 0.0014438, -0.00339569 ], [ 0, -0.00114022, 0.00117369 ], [ 0, -0.00100444, -0.00308587 ] ]
0
2.254757
pbe
true
3acc5be6a2691181a1ae836b40ed6be7_36_Sr4Ge2Bi2Te10
[ "Bi", "H", "Ru", "Sc" ]
5
A2BCD
BiHRuSc2
Sc2 Bi1 Ru1 H1
4
[ 1, 1, 1 ]
3
[ [ 4.5953209, 0, 0 ], [ 0, 4.5953209, 0 ], [ 0, 0, 3.89533439 ] ]
agm001606110
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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Sc", "Ru", "Bi", "H" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 6.3683, 0, 0 ], [ 0, 6.3683, 0 ], [ 0, 0, 6.5743413 ] ]
-31.314107
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.00001
2.963815
pbe
true
0a91bfaba869cec0bcf8f66e1e513a17_123_Sc2Bi1Ru1H1
[ "Bi", "I", "In", "Pb" ]
5
A2BCD
BiIInPb2
In1 Bi1 Pb2 I1
4
[ 1, 1, 1 ]
3
[ [ 6.15768122, 0, 0 ], [ 0, 5.9789323, 0 ], [ 0, 0, 6.15768122 ] ]
agm001564403
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "Pb", "Pb", "I", "Bi", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -21.330366, 0, 0 ], [ 0, -18.425232, 0 ], [ 0, 0, -21.330366 ] ]
-13.152995
[ -0.025, -0.016, 0.069, 0.585, 0.006 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.948687
4.043819
pbe
true
2d15fb90849847935877152d07b451d2_123_In1Bi1Pb2I1
[ "Bi", "I", "Na", "Te" ]
5
A2BCD
BiINaTe2
Na1 Bi1 Te2 I1
4
[ 1, 1, 1 ]
3
[ [ 5.58575403, 0, 0 ], [ 0, 5.58575403, 0 ], [ 0, 0, 5.58156191 ] ]
agm001799900
[ [ 0, 0, 2.790780955 ], [ 0, 0, 0 ], [ 0, 2.792877015, 0 ], [ 2.792877015, 0, 0 ], [ 2.792877015, 2.792877015, 2.790780955 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "Na", "Te", "Te", "Bi" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.05939403, 0, 0 ], [ 0, 0.05939403, 0 ], [ 0, 0, -0.11808509 ] ]
-11.3185
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
6.223581
pbe
true
caddf5847611b8ff34ad0e3370dfed84_123_Na1Bi1Te2I1
[ "Bi", "I", "P", "Te" ]
5
A2BCD
BiIPTe2
Bi1 Te2 P1 I1
4
[ 1, 1, 1 ]
3
[ [ 6.0510745, 0, 0 ], [ 0, 6.0510745, 0 ], [ 0, 0, 6.08551155 ] ]
agm001800244
[ [ 0, 0, 3.042755775 ], [ 3.02553725, 3.02553725, 3.042755775 ], [ 0, 3.02553725, 0 ], [ 3.02553725, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "I", "P", "Te", "Te", "Bi" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -0.07706507, 0, 0 ], [ 0, -0.07706507, 0 ], [ 0, 0, 0.21000685 ] ]
-12.519344
[ -0.03, 1.055, -0.354, -0.354, 0.059 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.176609
6.379107
pbe
true
e0ad3b3e5a0a840f148506ed644ca40d_123_Bi1Te2P1I1
[ "Bi", "In", "Pu", "Tm" ]
4
ABCD
BiInPuTm
Tm1 Pu1 In1 Bi1
4
[ 1, 1, 1 ]
3
[ [ 5.39139555, 0, 0 ], [ 2.69569778, 4.66908551, 0 ], [ 2.69569778, 1.55636184, 4.40205603 ] ]
agm001922800
[ [ 0, 0, 0 ], [ 2.6956977775, 1.5563618375000001, 1.1005140075 ], [ 8.0870933325, 4.669085512500001, 3.3015420224999996 ], [ 5.391395555, 3.1127236750000002, 2.201028015 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Tm", "In", "Bi", "Pu" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.0430362, 0, 0 ], [ 0, 3.0430362, 0 ], [ 0, 0, 3.0430362 ] ]
-26.556283
[ 0.254, -0.006, -0.008, 5.524 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.227759
11.242089
pbe
true
d65ba5e50a97727c41cb1028967c8249_216_Tm1Pu1In1Bi1
[ "Bi", "Mn", "O", "Pm" ]
10
A6B2CD
Bi2MnO6Pm
Pm1 Mn1 Bi2 O6
4
[ 1, 1, 1 ]
3
[ [ 6.18205406, 0.28980443, -0.29009535 ], [ 3.35323267, 5.17588226, -0.28218703 ], [ 2.94074098, 1.69233438, 4.87292532 ] ]
agm004953533
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Mn", "Bi", "Bi", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.6, 0.1 ]
[ [ 0.8296764, 0.07120477, -0.12167852 ], [ 0.07120475, 0.75424486, -0.08889308 ], [ -0.12167847, -0.08889317, 0.7573616 ] ]
-67.703739
[ 0.01, 3.9, 0.012, 0.013, -0.034, 0.014, -0.024, 0.033, -0.042, -0.039 ]
[ [ -0.00140318, 0.00139307, 0.00275381 ], [ 0.00229464, -0.00006628, 0.00284494 ], [ 0.00067414, -0.00141145, -0.00127823 ], [ -0.00170278, -0.00008276, -0.00023123 ], [ 0.00164327, 0.00259196, -0.00089845 ], [ -0.00028854, -0.00136873, -0.00056335 ], [ -0.00134031, 0.0001357, -0.00046997 ], [ 0.0000258, -0.00051691, -0.00058109 ], [ 0.00104364, 0.00039, -0.00124234 ], [ -0.00094666, -0.0010646, -0.00033409 ] ]
3.972219
0
pbe
true
fa1103569eb4a2919f24ba06a0a716a9_1_Pm1Mn1Bi2O6
[ "Bi", "Mn", "O", "Rh" ]
12
A8B2CD
Bi2MnO8Rh
Mn1 Bi2 Rh1 O8
4
[ 1, 1, 1 ]
3
[ [ 4.78064236, -0.03347164, -0.0027513 ], [ -0.01132953, 4.77804091, -0.00523234 ], [ 0.00398456, 0.00742654, 6.81287106 ] ]
agm004904912
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Mn", "Bi", "Bi", "Rh", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.08333333333333333, 0.6666666666666666, 0.08333333333333333 ]
[ [ 0.9605641, -0.03711206, -0.00008836 ], [ -0.03709526, 1.1303529, -0.0004142 ], [ -0.00008838, -0.00041419, 0.73716164 ] ]
-73.542146
[ 4.038, 0.024, 0.024, 0.524, 0.04, 0.1, 0.04, 0.04, 0.1, 0.04, -0.032, -0.032 ]
[ [ 0, 0, 0 ], [ 7.4e-7, 0.00000138, 0.0012632 ], [ -7.4e-7, -0.00000138, -0.0012632 ], [ 0, 0, 0 ], [ -0.00093128, 0.00161667, -0.00036605 ], [ -0.00062088, -0.00207431, 0.00000264 ], [ 0.00093085, -0.00161747, -0.00036359 ], [ 0.00093128, -0.00161667, 0.00036605 ], [ 0.00062088, 0.00207431, -0.00000264 ], [ -0.00093085, 0.00161747, 0.00036359 ], [ 0.00020044, -0.00010997, 0 ], [ -0.00020044, 0.00010997, 0 ] ]
5.136119
4.9692
pbe
true
72b6c08a9069af364d404c54a8d3e3d5_65_Mn1Bi2Rh1O8
[ "Bi", "N", "Pu", "Rh" ]
10
A2BCD
Bi2NPuRh
Pu2 Bi4 Rh2 N2
4
[ 1, 1, 1 ]
3
[ [ 3.83847391, 0, 0 ], [ 0, 3.83847391, 0 ], [ 0, 0, 15.59935185 ] ]
agm004992153
[ [ 1.919236955, 0, 8.910373955715366 ], [ 0, 1.919236955, 6.6889778942846325 ], [ 0, 1.919236955, 11.16478261347922 ], [ 0, 1.919236955, 1.1716893125396086 ], [ 1.919236955, 0, 14.42766253746039 ], [ 1.919236955, 0, 4.43456923652078 ], [ 1.919236955, 0, 1.733971849810821 ], [ 0, 1.919236955, 13.865380000189178 ], [ 0, 0, 7.799675925 ], [ 1.919236955, 1.919236955, 7.799675925 ] ]
[{"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": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Pu", "Pu", "Bi", "Bi", "Bi", "Bi", "Rh", "Rh", "N", "N" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.2295988, 0, 0 ], [ 0, 0.2295988, 0 ], [ 0, 0, 0.2669647 ] ]
-80.582154
[ 4.419, 4.419, -0.014, -0.015, -0.015, -0.014, 0.051, 0.051, -0.247, -0.247 ]
[ [ 0, 0, 4.7e-7 ], [ 0, 0, -4.7e-7 ], [ 0, 0, -0.00077848 ], [ 0, 0, 0.00184215 ], [ 0, 0, -0.00184215 ], [ 0, 0, 0.00077848 ], [ 0, 0, 0.002511 ], [ 0, 0, -0.002511 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
8.625091
13.658585
pbe
true
e47e652898f8864248f1d9e7f05aa7ef_129_Pu2Bi4Rh2N2
[ "Bi", "Na", "Pt", "Sr" ]
5
A2BCD
BiNaPtSr2
Na1 Sr2 Bi1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 6.01253345, 0, 0 ], [ 0, 5.0229345, 0 ], [ 0, 0, 6.01253345 ] ]
agm001547618
[ [ 0, 0, 3.006266725 ], [ 3.006266725, 0, 0 ], [ 0, 2.51146725, 0 ], [ 3.006266725, 2.51146725, 3.006266725 ], [ 0, 0, 0 ] ]
[{"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": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Bi", "Pt", "Na" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 1.8370931, 0, 0 ], [ 0, -1.2549148, 0 ], [ 0, 0, 1.8370931 ] ]
-12.684225
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.337138
pbe
true
c8592703ee0482785cfb5744dc8c8c6b_123_Na1Sr2Bi1Pt1
[ "Bi", "Na", "S", "Sm" ]
8
A4B2CD
Bi2NaS4Sm
Na1 Sm1 Bi2 S4
4
[ 1, 1, 1 ]
3
[ [ 3.98135001, 0, 0 ], [ 0, 8.75957823, -0.62449355 ], [ 0, -3.70988778, 6.44553413 ] ]
agm004828508
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Na", "Sm", "Bi", "Bi", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.5, 0.125 ]
[ [ -0.11776327, 0, 0 ], [ 0, -0.01862665, -0.01287097 ], [ 0, -0.01287107, -0.13120456 ] ]
-37.476323
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00179559, -0.00051761 ], [ 0, -0.00179559, 0.00051761 ], [ 0, 0.00191621, -0.00047345 ], [ 0, -0.00191621, 0.00047345 ] ]
0
-0.035802
pbe
true
91b62e965bc9e121339878d22980b5fc_10_Na1Sm1Bi2S4
[ "Bi", "Ni", "S", "Te" ]
19
A9B8CD
BiNi9S8Te
Bi1 Ni9 S8 Te1
4
[ 1, 1, 1 ]
3
[ [ 7.312263696, 0, 0 ], [ 0, 7.312263696, 0 ], [ 0, 0, 5.3805735 ] ]
oqmd-9692565
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[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Bi", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "S", "S", "S", "S", "S", "S", "S", "S", "Te" ]
2024-11-01 00:00:00
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-96.7944
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0.005178
null
pbe
true
7acd150132121bf36c4cd7e100f3733d_123_Ni9Bi1Te1S8
[ "Bi", "Ni", "O", "W" ]
20
A6B2CD
Bi2NiO6W
Ni2 Bi4 W2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.1711242, 0, -0.48191947 ], [ 0, 5.52546726, 0 ], [ -0.72018999, 0, 9.7646038 ] ]
agm004967926
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Ni", "Ni", "Bi", "Bi", "Bi", "Bi", "W", "W", "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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-121.307297
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3.999996
-0.206844
pbe
true
cd8fd11ed1c06915cb4981d789b9cf16_12_Ni2Bi4W2O12
[ "Bi", "O", "Pu", "Zr" ]
18
A6BCD
BiO6PuZr
Pu2 Zr2 Bi2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.68302755, 0, 0 ], [ -2.84151378, 4.92164623, 0 ], [ 0, 0, 9.73401555 ] ]
agm005083601
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Pu", "Pu", "Zr", "Zr", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]
[ [ 0.66771793, 0, 0 ], [ 0, 0.66771793, 0 ], [ 0, 0, 0.881767 ] ]
-157.299292
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6.000001
18.59742
pbe
true
400e2b39a0471abfe43b6956ca419837_163_Pu2Zr2Bi2O12
[ "Br", "C", "Ga", "Rb" ]
10
A6B2CD
Br6CGaRb2
Rb2 Ga1 C1 Br6
4
[ 1, 1, 1 ]
3
[ [ 7.39511813, 0, 0 ], [ 0, 7.39511813, 0 ], [ 3.69755907, 3.69755907, 5.21292188 ] ]
agm004481541
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "C", "Ga", "Br", "Br", "Br", "Br", "Br", "Br", "Rb", "Rb" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.1, 0.2 ]
[ [ -0.14480542, 0, 0 ], [ 0, -0.14480542, 0 ], [ 0, 0, 0.2680261 ] ]
-28.758709
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0
2.755875
pbe
true
663c37fa10a08f8d5c90c92929788fb3_139_Rb2Ga1C1Br6
[ "Br", "Ca", "Hf", "Pt" ]
5
A2BCD
BrCaHf2Pt
Ca1 Hf2 Pt1 Br1
4
[ 1, 1, 1 ]
3
[ [ 5.2074627, 0, 0 ], [ 0, 4.91626337, 0 ], [ 0, 0, 5.2074627 ] ]
agm001486979
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Ca", "Hf", "Hf", "Br", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 3.0300567, 0, 0 ], [ 0, 2.2573335, 0 ], [ 0, 0, 3.0300567 ] ]
-21.995444
[ 0, -0.001, 0.001, 0, 0 ]
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0
4.204299
pbe
true
4c838a3b7875522c63e3cfb4ff68212c_123_Ca1Hf2Pt1Br1
[ "Br", "Cd", "Li", "Sb" ]
10
A6B2CD
Br6CdLi2Sb
Li2 Cd1 Sb1 Br6
4
[ 1, 1, 1 ]
3
[ [ 7.17501333, 0.35193328, -0.3109924 ], [ 3.89964534, 6.44510589, -0.42086356 ], [ 3.38779347, 1.97260329, 6.4051955 ] ]
agm004954743
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]
[ "Li", "Li", "Cd", "Sb", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.2, 0.1 ]
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-27.91656
[ 0.001, 0, 0.019, 0.346, 0.009, 0.035, 0.018, 0.032, 0.008, 0.011 ]
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1.006118
0.055646
pbe
true
a602c1f4c5e0fe6dc5e492bf9b09f243_1_Li2Cd1Sb1Br6
[ "Br", "Cu", "Mg", "Sb" ]
5
A2BCD
BrCu2MgSb
Mg1 Cu2 Sb1 Br1
4
[ 1, 1, 1 ]
3
[ [ 4.66764567, 0, 0 ], [ 0, 5.27742495, 0 ], [ 0, 0, 4.66764567 ] ]
agm001431325
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Sb", "Mg", "Cu", "Cu", "Br" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ -1.7946628, 0, 0 ], [ 0, -1.5893263, 0 ], [ 0, 0, -1.7946628 ] ]
-13.206671
[ 0, 0, 0, 0, 0 ]
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0
0.930124
pbe
true
e1515bfa8381326f54bee05adc30da53_123_Mg1Cu2Sb1Br1
[ "Br", "Er", "Pu", "Tl" ]
18
A6BCD
Br6ErPuTl
Er2 Pu2 Tl2 Br12
4
[ 1, 1, 1 ]
3
[ [ 7.46798213, 0, 0 ], [ -3.73399107, 6.46746224, 0 ], [ 0, 0, 14.57786572 ] ]
agm005085562
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Er", "Er", "Pu", "Pu", "Tl", "Tl", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.1111111111111111, 0.1111111111111111, 0.1111111111111111 ]
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-89.616347
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12.000423
34.48611
pbe
true
db438950a752e6e90a994ac26a7c3816_163_Er2Pu2Tl2Br12
[ "Br", "Ge", "K", "Y" ]
18
A6BCD
Br6GeKY
K2 Y2 Ge2 Br12
4
[ 1, 1, 1 ]
3
[ [ 7.31944436, 0, 0 ], [ -3.65972218, 6.33882476, 0 ], [ 0, 0, 14.56797798 ] ]
agm005074672
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "K", "K", "Y", "Y", "Ge", "Ge", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.1111111111111111, 0.1111111111111111, 0.1111111111111111 ]
[ [ 0.58317256, 0, 0 ], [ 0, 0.58317256, 0 ], [ 0, 0, 0.5760307 ] ]
-70.227366
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0
0
pbe
true
375082abac379bdea998353c982ddef8_163_K2Y2Ge2Br12
[ "Br", "Ge", "Rb", "Sn" ]
15
A9B3C2D
Br9GeRb3Sn2
Rb3 Sn2 Ge1 Br9
4
[ 1, 1, 1 ]
3
[ [ 8.13570098, 0, 0 ], [ -4.06785049, 7.04572372, 0 ], [ 0, 0, 10.00227309 ] ]
agm004671582
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Rb", "Sn", "Sn", "Ge", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6, 0.06666666666666667, 0.2, 0.13333333333333333 ]
[ [ 0.62535846, 0, 0 ], [ 0, 0.62535846, 0 ], [ 0, 0, 0.6361268 ] ]
-47.506171
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0
-0.00168
pbe
true
b7b17e184a7b1a377cb78d884a8fd7c2_164_Rb3Sn2Ge1Br9
[ "Br", "H", "Hf", "Se" ]
5
A2BCD
Br2HHfSe
Hf1 H1 Se1 Br2
4
[ 1, 1, 1 ]
3
[ [ 5.12609865, 0, 0 ], [ 0, 5.12609865, 0 ], [ 0, 0, 3.5536387 ] ]
agm001684501
[ [ 0, 0, 0 ], [ 2.563049325, 2.563049325, 1.77681935 ], [ 0, 0, 1.77681935 ], [ 0, 2.563049325, 0 ], [ 2.563049325, 0, 0 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"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"]}]
[ "H", "Hf", "Se", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 2.7220652, 0, 0 ], [ 0, 2.7220652, 0 ], [ 0, 0, 1.9309039 ] ]
-18.777415
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.243989
pbe
true
6b5d32d0e6dff44eefbb7e3c3eeb597b_123_Hf1H1Se1Br2
[ "Br", "Hf", "S", "Se" ]
5
A2BCD
BrHfSSe2
Hf1 Se2 S1 Br1
4
[ 1, 1, 1 ]
3
[ [ 4.82204197, 0, 0 ], [ 0, 4.82204197, 0 ], [ 0, 0, 4.9681269 ] ]
agm001792999
[ [ 0, 0, 0 ], [ 2.411020985, 2.411020985, 2.48406345 ], [ 0, 2.411020985, 0 ], [ 2.411020985, 0, 0 ], [ 0, 0, 2.48406345 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}]
[ "S", "Hf", "Se", "Se", "Br" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.18545279, 0, 0 ], [ 0, 0.18545279, 0 ], [ 0, 0, 0.5181981 ] ]
-20.202093
[ 0.002, 0.794, -0.049, -0.049, -0.022 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.072543
3.205613
pbe
true
d1d7d6b8ea0ee8b7b07629676629f602_123_Hf1Se2S1Br1
[ "Br", "Hg", "Pb", "S" ]
12
A2B2CD
BrHg2PbS2
Hg4 Pb2 S4 Br2
4
[ 1, 1, 1 ]
3
[ [ 6.17995082, 0, 0 ], [ 0, 8.53190651, -1.1578294 ], [ 0, -4.44251597, 7.7589459 ] ]
agm004746456
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]
[ "Hg", "Hg", "Hg", "Hg", "Pb", "Pb", "S", "S", "S", "S", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.3333333333333333 ]
[ [ 2.5557706, 0, 0 ], [ 0, 2.427997, -0.00071959 ], [ 0, -0.00071976, 2.35661 ] ]
-29.817728
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00007675, 0.00018098, -0.00126237 ], [ -0.00007675, 0.00018098, -0.00126237 ], [ 0.00007675, -0.00018098, 0.00126237 ], [ -0.00007675, -0.00018098, 0.00126237 ], [ 0, -0.00383768, 0.00275586 ], [ 0, 0.00383768, -0.00275586 ], [ 0, -0.00208872, 0.00105823 ], [ 0, 0.00437376, -0.00071684 ], [ 0, 0.00208872, -0.00105823 ], [ 0, -0.00437376, 0.00071684 ], [ 0, -0.00251902, 0.00108642 ], [ 0, 0.00251902, -0.00108642 ] ]
0
3.987368
pbe
true
1124e0123d69153cd1fa20684858aad9_11_Hg4Pb2S4Br2
[ "Br", "I", "K", "Na" ]
10
A6B2CD
Br6IK2Na
K2 Na1 I1 Br6
4
[ 1, 1, 1 ]
3
[ [ 9.28100373, -1.77275547, 0.93676825 ], [ 3.27419885, 5.57333105, 0.06314315 ], [ 5.03054308, 0.74042559, 7.33447323 ] ]
agm004955874
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[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "K", "K", "Na", "I", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.2, 0.1 ]
[ [ 0.50035435, -0.01685418, -0.03249706 ], [ -0.0168542, 0.4860688, 0.02834866 ], [ -0.03249702, 0.02834867, 0.44000512 ] ]
-25.099072
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00032992, -0.00088769, -0.00116264 ], [ 0.00080028, -0.00235098, 0.00071034 ], [ 0.00167106, -0.00170151, -0.00344332 ], [ 0.00229532, 0.00233016, -0.00290698 ], [ -0.00062174, -0.00325001, 0.00361931 ], [ 0.00170033, -0.00081388, 0.00092964 ], [ -0.00043973, 0.00215389, 0.0004869 ], [ -0.00203989, 0.00158514, 0.00216452 ], [ -0.00114791, 0.00078143, -0.0002415 ], [ -0.00254762, 0.00215345, -0.00015627 ] ]
-0.000017
0
pbe
true
f4d91e073c8adbdfc516efd1c32ead74_1_K2Na1I1Br6
[ "Br", "K", "Sn", "Tm" ]
12
A8B2CD
Br8KSn2Tm
K1 Tm1 Sn2 Br8
4
[ 1, 1, 1 ]
3
[ [ 7.19055064, 0.05986382, -0.00486593 ], [ 0.10440066, 6.79681445, -0.00474476 ], [ 0.00601302, 0.01418404, 9.04882324 ] ]
agm004907626
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "K", "Tm", "Sn", "Sn", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.08333333333333333, 0.16666666666666666, 0.08333333333333333 ]
[ [ 0.92995197, -0.00093032, 0.00147223 ], [ -0.00093033, 1.0574431, -0.0042859 ], [ 0.00147221, -0.0042859, 0.94764817 ] ]
-42.236425
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0005333, 0.00062529, 0.00111997 ], [ -0.0005333, -0.00062529, -0.00111997 ], [ -0.00151377, 0.00417354, 0.0013521 ], [ -0.00173956, 0.00252773, 0.00040109 ], [ 0.00189463, -0.00391386, 0.00125127 ], [ 0.00151377, -0.00417354, -0.0013521 ], [ 0.00173956, -0.00252773, -0.00040109 ], [ -0.00189463, 0.00391386, -0.00125127 ], [ -0.0021074, -0.00080804, 0.00095586 ], [ 0.0021074, 0.00080804, -0.00095586 ] ]
0.000001
0
pbe
true
1d10a3f7bc47caabc8cfdb5dd849d6a3_10_K1Tm1Sn2Br8
[ "Br", "Mg", "Os", "Rb" ]
10
A6B2CD
Br6MgOsRb2
Rb2 Mg1 Os1 Br6
4
[ 1, 1, 1 ]
3
[ [ 7.47212679, 0, 0 ], [ 0, 7.47212679, 0 ], [ 3.7360634, 3.7360634, 5.2844878 ] ]
agm004480820
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Mg", "Os", "Br", "Br", "Br", "Br", "Br", "Br", "Rb", "Rb" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.1, 0.2 ]
[ [ 1.0804685, 0, 0 ], [ 0, 1.0804685, 0 ], [ 0, 0, 1.5554943 ] ]
-33.726978
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00017846 ], [ 0, 0, -0.00017846 ], [ -0.00219691, -0.00219691, 0 ], [ 0.00219691, 0.00219691, 0 ], [ 0.00219691, -0.00219691, 0 ], [ -0.00219691, 0.00219691, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.577685
pbe
true
8a401d1598d582236ce6e24e011aba17_225_Rb2Mg1Os1Br6
[ "Br", "Mn", "Ru", "Zr" ]
5
A2BCD
BrMnRu2Zr
Zr1 Mn1 Ru2 Br1
4
[ 1, 1, 1 ]
3
[ [ 4.83540924, 0, 0 ], [ 0, 5.12621303, 0 ], [ 0, 0, 4.83540924 ] ]
agm001463069
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2023-11-16 06:57:59
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258b96fa0633b06b8b97ad3e834b29c9_123_Zr1Mn1Ru2Br1
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5
A2BCD
BrN2OP
P1 Br1 N2 O1
4
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3
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agm001727554
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[ "P", "O", "Br", "N", "N" ]
2023-11-16 06:57:59
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835d007558beac6330b2396cae97e4b3_123_P1Br1N2O1
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A6B3C2D
Br3Os2SSm6
Sm6 Os2 S1 Br3
4
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agm004627027
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2023-11-16 06:57:59
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0.000091
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614fed749d1a995abbe50e3129d457ed_12_Sm6Os2S1Br3
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5
A2BCD
Br2RuSeSn
Sn1 Ru1 Se1 Br2
4
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3
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agm001685926
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[ "Ru", "Se", "Sn", "Br", "Br" ]
2023-11-16 06:57:59
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pbe
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78c0d0ca7a94f2916d33db23e840a55c_123_Sn1Ru1Se1Br2
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5
A2BCD
Br2ScSeSn
Sc1 Sn1 Se1 Br2
4
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3
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agm001686129
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[ "Sc", "Se", "Sn", "Br", "Br" ]
2023-11-16 06:57:59
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0.000097
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pbe
true
9bc8883530370f39fe9163c875a502ce_123_Sc1Sn1Se1Br2
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5
A2BCD
C2CdPW
Cd1 P1 W1 C2
4
[ 1, 1, 1 ]
3
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agm001422786
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[ "P", "C", "C", "W", "Cd" ]
2023-11-16 06:57:59
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0.000007
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pbe
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415463b3961ed2f371b2b48029202168_123_Cd1P1W1C2
[ "C", "Ce", "Mn", "Ta" ]
16
A4B2CD
C4CeMnTa2
Ce2 Ta4 Mn2 C8
4
[ 1, 1, 1 ]
3
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agm004780829
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[ "Ce", "Ce", "Ta", "Ta", "Ta", "Ta", "Mn", "Mn", "C", "C", "C", "C", "C", "C", "C", "C" ]
2023-11-16 06:57:59
[ 0.5, 0.125, 0.125, 0.25 ]
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0.011081
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pbe
true
9bc76d085713b9cd7cc8222604bf2008_63_Ce2Ta4Mn2C8
[ "C", "Cl", "Hg", "N" ]
44
A4B3C2D2
C2Cl2Hg3N4
C2 Cl2 Hg3 N4
4
[ 1, 1, 1 ]
3
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oqmd-9794971
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2024-11-01 00:00:00
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pbe
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7618e763fddcfd0778468826ec836802_29_Hg12C8N16Cl8
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15
A8B3C3D
C3Cl3OPr8
Pr8 C3 Cl3 O1
4
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3
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agm004682690
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[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "C", "C", "C", "Cl", "Cl", "Cl", "O" ]
2023-11-16 06:57:59
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0.000019
6.233211
pbe
true
2a7e8ffa09c526e4063ca396e0eae7bd_12_Pr8C3Cl3O1
[ "C", "Cl", "Nd", "Rh" ]
16
A8B4C3D
CCl4Nd8Rh3
Nd8 Rh3 C1 Cl4
4
[ 1, 1, 1 ]
3
[ [ 8.09180643, 0, 0 ], [ 0, 8.80393496, 0.48363871 ], [ -4.04590322, -4.03993533, 5.72667781 ] ]
agm004735091
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Rh", "Rh", "Rh", "C", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.0625, 0.25, 0.5, 0.1875 ]
[ [ 0.02333371, 0, 0 ], [ 0, 0.12350129, 0.09750084 ], [ 0, 0.09750135, 0.0991463 ] ]
-93.83999
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-0.000008
9.115667
pbe
true
bcca010b640c19a00b22a4fb81495c89_166_Nd8Rh3C1Cl4
[ "C", "Cl", "P", "Pr" ]
12
A6B3C2D
C2Cl3PPr6
Pr6 P1 C2 Cl3
4
[ 1, 1, 1 ]
3
[ [ 3.92081859, 0, 0 ], [ 0, 8.53593701, -0.10460981 ], [ -1.9604093, -2.86933107, 8.71343091 ] ]
agm004617915
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "P", "C", "C", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.25, 0.08333333333333333, 0.5 ]
[ [ -0.04521585, 0, 0 ], [ 0, 0.14199802, -0.1339753 ], [ 0, -0.13397527, 0.08166759 ] ]
-72.468217
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[ [ 0, -0.00195807, -0.00183473 ], [ 0, 0.00178701, -0.00002122 ], [ 0, 0.00195807, 0.00183473 ], [ 0, -0.0003112, 0.00401197 ], [ 0, 0.0003112, -0.00401197 ], [ 0, -0.00178701, 0.00002122 ], [ 0, 0, 0 ], [ 0, 0.00041996, -0.00035424 ], [ 0, -0.00041996, 0.00035424 ], [ 0, 0, 0 ], [ 0, -0.00070366, -0.00384538 ], [ 0, 0.00070366, 0.00384538 ] ]
-0.000003
3.949497
pbe
true
69ff66290dd5593302048cf66e36f70c_12_Pr6P1C2Cl3
[ "C", "Co", "Hg", "Rb" ]
5
A2BCD
CCoHgRb2
Rb2 Co1 Hg1 C1
4
[ 1, 1, 1 ]
3
[ [ 6.59024014, 0, 0 ], [ 0, 4.90171492, 0 ], [ 0, 0, 6.59024014 ] ]
agm001471896
[ [ 3.29512007, 2.45085746, 3.29512007 ], [ 0, 2.45085746, 0 ], [ 0, 0, 0 ], [ 0, 0, 3.29512007 ], [ 3.29512007, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "C", "Co", "Hg", "Rb", "Rb" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.32172725, 0, 0 ], [ 0, -1.6462575, 0 ], [ 0, 0, 0.32172725 ] ]
-9.255495
[ 0.003, 1.769, -0.021, -0.006, -0.009 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.601557
22.070486
pbe
true
e65841deb6b8b9af7da7ed1778009a5b_123_Rb2Co1Hg1C1
[ "C", "Cr", "Fe", "Ga" ]
5
A2BCD
C2CrFeGa
Cr1 Ga1 Fe1 C2
4
[ 1, 1, 1 ]
3
[ [ 3.60790288, 0, 0 ], [ 0, 4.79212544, 0 ], [ 0, 0, 3.60790288 ] ]
agm001513165
[ [ 0, 2.39606272, 0 ], [ 0, 0, 1.80395144 ], [ 1.80395144, 0, 0 ], [ 0, 0, 0 ], [ 1.80395144, 2.39606272, 1.80395144 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Cr", "C", "C", "Fe", "Ga" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.21029395, 0, 0 ], [ 0, 2.3536298, 0 ], [ 0, 0, 0.21029395 ] ]
-32.465839
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000115
5.703153
pbe
true
e95fca61b69db107be48e41bcf1afb49_123_Cr1Ga1Fe1C2
[ "C", "Cu", "Sb", "Te" ]
5
A2BCD
CCuSbTe2
Cu1 Sb1 Te2 C1
4
[ 1, 1, 1 ]
3
[ [ 4.81835034, 0, 0 ], [ 0, 4.81835034, 0 ], [ 0, 0, 4.63187939 ] ]
agm001805876
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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": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Sb", "C", "Te", "Te", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.09279288, 0, 0 ], [ 0, 0.09279288, 0 ], [ 0, 0, 0.45354334 ] ]
-17.96396
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.403654
pbe
true
5706da08d10fc71f248e633a084b718b_123_Cu1Sb1Te2C1
[ "C", "Er", "Pb", "Y" ]
7
A3B2CD
CErPb2Y3
Y3 Er1 Pb2 C1
4
[ 1, 1, 1 ]
3
[ [ 4.79538963, 0, 0 ], [ 0, 4.82795723, 0 ], [ -2.39769482, -2.41397862, 8.05588967 ] ]
agm004760105
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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Y", "Er", "Pb", "Pb", "C" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.14285714285714285, 0.2857142857142857, 0.42857142857142855 ]
[ [ -0.0014301, 0, 0 ], [ 0, -0.00298153, 0 ], [ 0, 0, 0.00021618 ] ]
-44.725988
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.00354844 ], [ 0, 0, 0.00354844 ], [ 0, 0, 0 ], [ 0, 0, -0.00418817 ], [ 0, 0, 0.00418817 ], [ 0, 0, 0 ] ]
-0
0.592268
pbe
true
7eb72218491e4d9239002a0975e0adb4_71_Y3Er1Pb2C1
[ "C", "Er", "Pr", "Sn" ]
5
A2BCD
CErPr2Sn
Pr2 Er1 Sn1 C1
4
[ 1, 1, 1 ]
3
[ [ 4.8614295, 0, 0 ], [ 0, 5.16176563, 0 ], [ 0, 0, 5.16176563 ] ]
agm005012335
[ [ 0, 0, 2.580882815 ], [ 0, 2.580882815, 0 ], [ 2.43071475, 0, 0 ], [ 2.43071475, 2.580882815, 2.580882815 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Pr", "Pr", "Er", "Sn", "C" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -0.10940149, 0, 0 ], [ 0, 0.22330637, 0 ], [ 0, 0, 0.22330637 ] ]
-29.795345
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000003
2.11512
pbe
true
5e937509845b7e48fe0e42d24829f9c9_123_Pr2Er1Sn1C1
[ "C", "Ga", "Re", "Th" ]
7
A2B2C2D
CGa2Re2Th2
Th2 Ga2 Re2 C1
4
[ 1, 1, 1 ]
3
[ [ 4.03252353, 0, 0 ], [ 2.01626176, 5.56586273, 0.00856441 ], [ 2.01626176, 1.33497277, 5.98852666 ] ]
agm004555145
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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Th", "Th", "Ga", "Ga", "Re", "Re", "C" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.2857142857142857, 0.2857142857142857, 0.2857142857142857 ]
[ [ -0.1741116, 0, 0 ], [ 0, 0.0901364, -0.09024275 ], [ 0, -0.09024275, 0.13554657 ] ]
-57.650133
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00211122, -0.00042077 ], [ 0, -0.00211122, 0.00042077 ], [ 0, -0.00309838, -0.00055525 ], [ 0, 0.00309838, 0.00055525 ], [ 0, -0.00100473, 0.0003542 ], [ 0, 0.00100473, -0.0003542 ], [ 0, 0, 0 ] ]
-0.000021
4.500409
pbe
true
a32180200d84819909a98d1bb0bf880e_12_Th2Ga2Re2C1
[ "C", "Ga", "Sm", "Y" ]
5
A2BCD
CGaSm2Y
Sm2 Y1 Ga1 C1
4
[ 1, 1, 1 ]
3
[ [ 4.87227269, 0, 0 ], [ 0, 5.00025277, 0 ], [ 0, 0, 5.00025277 ] ]
agm005011771
[ [ 0, 0, 2.500126385 ], [ 0, 2.500126385, 0 ], [ 2.436136345, 0, 0 ], [ 2.436136345, 2.500126385, 2.500126385 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Sm", "Sm", "Y", "Ga", "C" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -0.04672387, 0, 0 ], [ 0, 0.08702507, 0 ], [ 0, 0, 0.08702507 ] ]
-29.989643
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
2.266
pbe
true
36e470f959515177cbd4d67b4cbd8689_123_Sm2Y1Ga1C1
[ "C", "Ge", "Mn", "Pm" ]
10
A2BCD
CGeMn2Pm
Pm2 Mn4 Ge2 C2
4
[ 1, 1, 1 ]
3
[ [ 3.85216186, 0, 0 ], [ -1.92608093, 5.39161001, 0 ], [ 0, 0, 7.20460406 ] ]
agm004999323
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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": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Pm", "Pm", "Mn", "Mn", "Mn", "Mn", "Ge", "Ge", "C", "C" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.6355655, 0, 0 ], [ 0, 0.7082678, 0 ], [ 0, 0, 0.6527141 ] ]
-77.43495
[ -0.053, -0.053, 1.666, 1.666, 1.666, 1.666, -0.081, -0.081, -0.138, -0.138 ]
[ [ 0, 0.00347238, 0 ], [ 0, -0.00347238, 0 ], [ 0, 0.00098718, 0.00064046 ], [ 0, -0.00098718, -0.00064046 ], [ 0, 0.00098718, -0.00064046 ], [ 0, -0.00098718, 0.00064046 ], [ 0, 0.00225082, 0 ], [ 0, -0.00225082, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.126586
5.622944
pbe
true
d88edb8b6d4e7547c5d1058d003f69cb_63_Pm2Mn4Ge2C2
[ "C", "Ga", "Ta", "Zr" ]
5
A2BCD
C2GaTaZr
Zr1 Ta1 Ga1 C2
4
[ 1, 1, 1 ]
3
[ [ 4.06602367, 0, 0 ], [ 0, 4.91424693, 0 ], [ 0, 0, 4.06602367 ] ]
agm001495424
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[ "C", "C", "Ga", "Zr", "Ta" ]
2023-11-16 06:57:59
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pbe
true
f16e376244e8fe8647fabd80bc773a8d_123_Zr1Ta1Ga1C2
[ "C", "Ge", "Pb", "Tm" ]
14
A4BCD
CGePbTm4
Tm8 Ge2 Pb2 C2
4
[ 1, 1, 1 ]
3
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agm005056533
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[ "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Ge", "Ge", "Pb", "Pb", "C", "C" ]
2023-11-16 06:57:59
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pbe
true
412bc37a184a31db22789f7237fa662d_63_Tm8Ge2Pb2C2
[ "C", "Hf", "K", "Ru" ]
5
A2BCD
CHfK2Ru
K2 Hf1 Ru1 C1
4
[ 1, 1, 1 ]
3
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agm001442034
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[ "Ru", "K", "K", "Hf", "C" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-0.000013
10.236454
pbe
true
ee5933f699d673c5c30edf288aec589e_123_K2Hf1Ru1C1
[ "C", "Hg", "Ir", "P" ]
5
A2BCD
CHgIrP2
Hg1 P2 Ir1 C1
4
[ 1, 1, 1 ]
3
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agm001545911
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[ "P", "P", "C", "Ir", "Hg" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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0
2.207902
pbe
true
90c102c57e0608ca52de5bbc251dcf8a_123_Hg1P2Ir1C1