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[ "Be", "Dy", "Ni" ]
8
A6BC
BeDyNi6
Dy1 Be1 Ni6
3
[ 1, 1, 1 ]
3
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agm003771152
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[{"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": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Dy", "Be", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.75 ]
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-43.908581
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1.447054
10.116803
pbe
true
6eafdf8b6cfb20a8f5556019097f7617_123_Dy1Be1Ni6
[ "Be", "Ga", "Pd" ]
10
A2B2C
Be2Ga2Pd
Be4 Ga4 Pd2
3
[ 1, 1, 1 ]
3
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agm002960703
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[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Be", "Be", "Be", "Be", "Ga", "Ga", "Ga", "Ga", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
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0
2.955304
pbe
true
303864f1dcf6e7877c14ed1446d5fb5f_127_Be4Ga4Pd2
[ "Be", "Ga", "Nb" ]
24
A3B2C
BeGa2Nb3
Be4 Nb12 Ga8
3
[ 1, 1, 1 ]
3
[ [ 3.64888055, 0, 0 ], [ 0, 9.77589256, 0 ], [ 0, 0, 10.58247154 ] ]
agm005748463
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[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Be", "Be", "Be", "Be", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.3333333333333333, 0.5 ]
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0
10.491308
pbe
true
2bd9c318dcc9d6e9ed40e18890d26024_62_Be4Nb12Ga8
[ "Be", "Ge", "Pu" ]
3
ABC
BeGePu
Pu1 Be1 Ge1
3
[ 1, 1, 1 ]
3
[ [ 4.17326447, 0, 0 ], [ 0, 3.92479114, 0 ], [ 0, -1.96239557, 3.39896883 ] ]
agm001258875
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[{"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"]}]
[ "Be", "Ge", "Pu" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
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-23.683067
[ 0.048, -0.082, 5.373 ]
[ [ 0.00244479, 0, 0 ], [ -0.00227202, 0, 0 ], [ -0.00017277, 0, 0 ] ]
5.954898
8.938637
pbe
true
1258f08de21a904a50daa3e9dd725365_187_Pu1Be1Ge1
[ "Be", "Ge", "Sb" ]
10
A2B2C
BeGe2Sb2
Be2 Ge4 Sb4
3
[ 1, 1, 1 ]
3
[ [ 7.14998703, 0, 0 ], [ 0, 7.14998703, 0 ], [ 0, 0, 4.47243419 ] ]
agm002962696
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Sb", "Sb", "Sb", "Sb", "Ge", "Ge", "Ge", "Ge", "Be", "Be" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
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-37.301129
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-0
3.661999
pbe
true
09339613b93e613c2f0eb68e1be0008d_127_Be2Ge4Sb4
[ "Be", "Ru", "Tl" ]
3
ABC
BeRuTl
Be1 Tl1 Ru1
3
[ 1, 1, 1 ]
3
[ [ 4.27734153, 0, 0 ], [ 2.13867077, 3.70428643, 0 ], [ 2.13867077, 1.23476214, 3.49243474 ] ]
agm003788320
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"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", "Tl", "Be" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 1.1789484, 0, 0 ], [ 0, 1.1789484, 0 ], [ 0, 0, 1.1789484 ] ]
-13.10938
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000004
1.132717
pbe
true
c9b7caf33bb3ff0b3b38e2f57976a4a1_216_Be1Tl1Ru1
[ "Be", "Hf", "Ni" ]
12
A5B5C2
Be5Hf2Ni5
Hf2 Be5 Ni5
3
[ 1, 1, 1 ]
3
[ [ 3.73808081, 0, 0 ], [ 0, 4.55473648, 0 ], [ 0, 0, 8.06145539 ] ]
agm005658434
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"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"]}]
[ "Hf", "Hf", "Be", "Be", "Be", "Be", "Be", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.4166666666666667, 0.16666666666666666, 0.4166666666666667 ]
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0.000005
8.77893
pbe
true
6d27dab3a26845c7714147bcd4652841_47_Hf2Be5Ni5
[ "Be", "Ir", "Sc" ]
10
A2B2C
BeIr2Sc2
Sc4 Be2 Ir4
3
[ 1, 1, 1 ]
3
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agm002963035
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[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"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"]}]
[ "Sc", "Sc", "Sc", "Sc", "Be", "Be", "Ir", "Ir", "Ir", "Ir" ]
2023-11-16 06:57:59
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0
5.416503
pbe
true
3aa27466d41e2edd435c059d1d77352c_127_Sc4Be2Ir4
[ "Be", "La", "Pb" ]
5
A2B2C
Be2LaPb2
La1 Be2 Pb2
3
[ 1, 1, 1 ]
3
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agm002911785
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Pb", "Pb", "Be", "Be", "La" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
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0.000001
2.067366
pbe
true
373d7ea936627b1cd977a692abc42207_139_La1Be2Pb2
[ "Be", "Mn", "P" ]
3
ABC
BeMnP
Mn1 Be1 P1
3
[ 1, 1, 1 ]
3
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agm004074620
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[ "P", "Mn", "Be" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
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0.492538
1.952335
pbe
true
7adbd0b40711b31b10b91cd6b7c58260_156_Mn1Be1P1
[ "Be", "N", "Ni" ]
10
A2B2C
Be2N2Ni
Be4 Ni2 N4
3
[ 1, 1, 1 ]
3
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agm2000102708
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[ "Be", "Be", "Be", "Be", "Ni", "Ni", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
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3.122366
6.792931
pbe
true
a5d46ab61ab6e4048a067c546555f4fb_53_Be4Ni2N4
[ "Be", "Ni", "Te" ]
4
A2BC
Be2NiTe
Be2 Ni1 Te1
3
[ 1, 1, 1 ]
3
[ [ 4.21259805, 0.001881, -0.00239836 ], [ 2.5268159, 3.37063603, -0.00239836 ], [ 0.01682573, 0.00841988, 4.0797473 ] ]
agm004063773
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[ "Ni", "Te", "Be", "Be" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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0
1.185556
pbe
true
9088a3c065418f44f8f1ce199899251c_12_Be2Ni1Te1
[ "Be", "Pa", "Ru" ]
17
A7B6C4
Be6Pa4Ru7
Pa4 Be6 Ru7
3
[ 1, 1, 1 ]
3
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agm005712100
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[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Pa", "Pa", "Pa", "Pa", "Be", "Be", "Be", "Be", "Be", "Be", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru" ]
2023-11-16 06:57:59
[ 0.35294117647058826, 0.23529411764705882, 0.4117647058823529 ]
[ [ 0.2005985, 2e-8, -1e-8 ], [ 2e-8, 0.20059855, -2e-8 ], [ -1e-8, -2e-8, 0.20059852 ] ]
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-0.000039
12.321142
pbe
true
8f13d8a6a9bf7531741c78e8298d7fb8_229_Pa4Be6Ru7
[ "Be", "Pb", "Sb" ]
8
A2BC
Be2PbSb
Be4 Sb2 Pb2
3
[ 1, 1, 1 ]
3
[ [ 6.19714974, 0, 0 ], [ 0, 6.19714974, 0 ], [ 3.09857487, 3.09857487, 4.8954678 ] ]
agm002802371
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[ "Pb", "Pb", "Sb", "Sb", "Be", "Be", "Be", "Be" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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-26.213027
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0
2.947947
pbe
true
474aa01d8164682167979ff6b36dc83f_122_Be4Sb2Pb2
[ "Be", "Sn", "Zr" ]
12
A4BC
BeSnZr4
Zr8 Be2 Sn2
3
[ 1, 1, 1 ]
3
[ [ 5.66006725, 0, 0 ], [ 0, 6.65018616, 0 ], [ 0, 0, 6.65018616 ] ]
agm003756959
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Be", "Be", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]
[ [ 0.50779426, 0, 0 ], [ 0, 0.7853054, 0 ], [ 0, 0, 0.7853054 ] ]
-86.488574
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0.000001
14.039055
pbe
true
78e2ecfdb1b7e41614cbd51f062c8bfb_124_Zr8Be2Sn2
[ "Be", "Si", "Zr" ]
12
A3B2C
Be3SiZr2
Zr4 Be6 Si2
3
[ 1, 1, 1 ]
3
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agm005829043
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"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"]}]
[ "Zr", "Zr", "Zr", "Zr", "Be", "Be", "Be", "Be", "Be", "Be", "Si", "Si" ]
2023-11-16 06:57:59
[ 0.5, 0.16666666666666666, 0.3333333333333333 ]
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-73.240734
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-0.000004
5.315821
pbe
true
e37e93a61204619c13b7d4bd6d9206eb_69_Zr4Be6Si2
[ "Bi", "Cd", "Cs" ]
14
A3B3C
Bi3Cd3Cs
Cs2 Cd6 Bi6
3
[ 1, 1, 1 ]
3
[ [ 7.99252206, -0.00000591, 0 ], [ 3.99626615, 6.92172419, 0 ], [ 3.99626274, 2.30723943, 10.21543466 ] ]
agm003548350
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[{"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": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.42857142857142855, 0.42857142857142855, 0.14285714285714285 ]
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-31.44703
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0
5.344098
pbe
true
ed3cabf3ad4a11cdc6dd22a214891b8d_148_Cs2Cd6Bi6
[ "Bi", "Ce", "La" ]
14
A3B3C
Bi3Ce3La
La2 Ce6 Bi6
3
[ 1, 1, 1 ]
3
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agm003547488
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "La", "La", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.42857142857142855, 0.42857142857142855, 0.14285714285714285 ]
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-76.176524
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8.175282
37.60179
pbe
true
614a29a002ad44e599b9105cc8518c59_176_La2Ce6Bi6
[ "Bi", "Ce", "Rh" ]
18
A5B3C
Bi3Ce5Rh
Ce10 Bi6 Rh2
3
[ 1, 1, 1 ]
3
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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A2B2C
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Cu1 Bi2 H2
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agm002925799
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2023-11-16 06:57:59
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a52ad7945cf58082865af8882fe4375c_139_Cu1Bi2H2
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A3B3C2
Bi2Cu3Rb3
Rb3 Cu3 Bi2
3
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agm002208006
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2023-11-16 06:57:59
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827f7e17babbfbad2b17f3588155ccfc_166_Rb3Cu3Bi2
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A2B2C
BiCu2Zr2
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3
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3
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agm002919640
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[ "Cu", "Cu", "Bi", "Zr", "Zr" ]
2023-11-16 06:57:59
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8c053d2f0c4fb40858a6d875087256c6_139_Zr2Cu2Bi1
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A4B3C
Bi3Er4Tm
Er4 Tm1 Bi3
3
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2023-11-16 06:57:59
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3092f32133d8304bc468451a23e394b0_12_Er4Tm1Bi3
[ "Bi", "Eu", "Rh" ]
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A2BC
Bi2EuRh
Eu1 Bi2 Rh1
3
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[ "Eu", "Rh", "Bi", "Bi" ]
2023-11-16 06:57:59
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7.631753
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4ad4433364bc49d24eb6d510031053d1_166_Eu1Bi2Rh1
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Ti6 Bi4 H2
3
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[ "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Bi", "Bi", "Bi", "Bi", "H", "H" ]
2023-11-16 06:57:59
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e04bdc626aa98d5693fa3d063c5516d9_15_Ti6Bi4H2
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A6BC
BiHf6Sn
Hf6 Sn1 Bi1
3
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3
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agm003765633
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[ "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Sn", "Bi" ]
2023-11-16 06:57:59
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Tl7 Hg2 Bi2
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2023-11-16 06:57:59
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5c733086c24617a29134efbd826c114b_44_Tl7Hg2Bi2
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BiIMn2
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2023-11-16 06:57:59
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d6fe6824d794221c1872472806ca7d5f_225_Mn2Bi1I1
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Bi2InNa4
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2023-11-16 06:57:59
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2024-11-01 00:00:00
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7df2c899a881335424aef6c7293f0f26_216_Li1Bi1Pd1
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Bi2LiNi
Li2 Ni2 Bi4
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2023-11-16 06:57:59
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A3B3C
BiLi3S3
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2023-11-16 06:57:59
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971b42a910b824cfc6655bf0164cc9d5_198_Li12Bi4S12
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10
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Bi2LiZr2
Li2 Zr4 Bi4
3
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3
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2023-11-16 06:57:59
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A3B2C
Bi2Li3Tb
Li3 Tb1 Bi2
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2023-11-16 06:57:59
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3
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3
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2023-11-16 06:57:59
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A2BC
BiNZr2
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3
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2023-11-16 06:57:59
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Ni2 Bi1 Sb2
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2023-11-16 06:57:59
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ad655af3abe967bf1f7d1ad3181185db_139_Ni2Bi1Sb2
[ "Bi", "O", "S" ]
22
A8B2C
BiO8S2
Bi2 S4 O16
3
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3
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agm005854216
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2023-11-16 06:57:59
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90bce27d2764758dcdadee92fdead2b9_15_Bi2S4O16
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A3BC
BiO3Tc
Tc2 Bi2 O6
3
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3
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agm003715400
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2023-11-16 06:57:59
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894c64d1c6ee4d158ce2882f9f84c91d_59_Tc2Bi2O6
[ "Bi", "Pd", "Pt" ]
4
A2BC
BiPd2Pt
Bi1 Pd2 Pt1
3
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3
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agm001810097
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[ "Pd", "Pd", "Bi", "Pt" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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pbe
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a92691099a951f2a58840885bb95d0b6_123_Bi1Pd2Pt1
[ "Bi", "Os", "Ru" ]
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A2BC
BiOsRu2
Bi1 Ru2 Os1
3
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3
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agm002727739
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[ "Ru", "Ru", "Os", "Bi" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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2.556791
4.244453
pbe
true
8e1852dadf6073c66b9fc06ccd127a13_225_Bi1Ru2Os1
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5
A2B2C
Bi2PdTl2
Tl2 Bi2 Pd1
3
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3
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agm002940727
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[ "Tl", "Tl", "Bi", "Bi", "Pd" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
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0
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pbe
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4d64c10e6136bfbe5ff12357d9453235_139_Tl2Bi2Pd1
[ "Bi", "Sb", "V" ]
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A3BC
BiSbV3
V3 Bi1 Sb1
3
[ 1, 1, 1 ]
3
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agm002618665
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[ "Sb", "Bi", "V", "V", "V" ]
2023-11-16 06:57:59
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51be33e3660b93d5adad236db2db1f3c_221_V3Bi1Sb1
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64
A9B5C2
Br9C2Er5
Er20 C8 Br36
3
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3
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agm005232358
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2023-11-16 06:57:59
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-0.000108
-0.614335
pbe
true
a68f1264aa6c67f6b1c43cc1fc2d264a_14_Er20C8Br36
[ "Br", "Ce", "K" ]
22
A6B4C
Br6CeK4
K8 Ce2 Br12
3
[ 1, 1, 1 ]
3
[ [ 9.45651814, -0.09355406, 0.0148868 ], [ -0.01476199, 9.45696822, 0.01488584 ], [ 0.09433623, 0.0935531, 9.45605829 ] ]
agm006057303
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "K", "K", "K", "K", "K", "K", "K", "K", "Ce", "Ce", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.5454545454545454, 0.09090909090909091, 0.36363636363636365 ]
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-76.798197
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3.524183
18.954823
pbe
true
c0c9de8fa0ff6b86836ddb0ca7a29d80_167_K8Ce2Br12
[ "Br", "Cl", "Cu" ]
7
A3B2C2
Br2Cl2Cu3
Cu3 Br2 Cl2
3
[ 1, 1, 1 ]
3
[ [ 1.93442359, 8.53079562, -1.08988647 ], [ -1.93442359, 8.53079562, -1.08988647 ], [ 0, -0.47556511, 6.37535655 ] ]
agm005557204
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Cu", "Cu", "Cu", "Br", "Br", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.2857142857142857, 0.42857142857142855 ]
[ [ -1.5998273, 0, 0 ], [ 0, 1.4051571, -3.4914923 ], [ 0, -3.4914923, 5.8307767 ] ]
-21.655056
[ 0.076, 0.141, 0.141, 0.052, 0.052, 0.03, 0.03 ]
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0.555902
9.812695
pbe
true
d2b8b5d58e4d7bb137519b472fc6b6ab_12_Cu3Br2Cl2
[ "Br", "Cl", "Os" ]
4
A2BC
BrClOs2
Os2 Br1 Cl1
3
[ 1, 1, 1 ]
3
[ [ 3.00598732, 0.00179087, 0 ], [ -1.6634212, 2.5037957, 0 ], [ 0, 0, 8.75180183 ] ]
agm003955039
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Os", "Os", "Br", "Cl" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 3.1104853, 0.04674791, 0 ], [ 0.04674791, 3.1726804, 0 ], [ 0, 0, 3.214985 ] ]
-20.390957
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00095385 ], [ 0, 0, 0.00095385 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000002
3.613539
pbe
true
328e5228b0483a66de6a79f543c9ed0d_65_Os2Br1Cl1
[ "Br", "Cl", "Np" ]
7
A3B3C
Br3Cl3Np
Np1 Br3 Cl3
3
[ 1, 1, 1 ]
3
[ [ 6.82715736, -0.58351533, -1.94039131 ], [ -2.40881731, 6.41468492, -1.94039127 ], [ -0.44213551, -0.58351439, 7.08376312 ] ]
agm005901102
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
[ "Np", "Br", "Br", "Br", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.42857142857142855, 0.42857142857142855, 0.14285714285714285 ]
[ [ 0.05033084, -0.02266116, -0.01383155 ], [ -0.02266116, 0.03759407, -0.01825439 ], [ -0.01383155, -0.01825439, 0.05635959 ] ]
-30.344413
[ 1.71, -0.119, -0.119, -0.119, -0.075, -0.075, -0.075 ]
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0.999987
-0.095356
pbe
true
9da796277d1e854f8e0d1f74906a5575_160_Np1Br3Cl3
[ "Br", "Cs", "In" ]
28
A4B2C
Br4Cs2In
Cs8 In4 Br16
3
[ 1, 1, 1 ]
3
[ [ 7.99940251, 0.00052459, -1.64916159 ], [ -0.33896447, 7.9922036, -1.64903677 ], [ -0.18811233, -0.19598896, 19.33901354 ] ]
agm005904693
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "In", "In", "In", "In" ]
2023-11-16 06:57:59
[ 0.5714285714285714, 0.2857142857142857, 0.14285714285714285 ]
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-83.016914
[ 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 ]
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0
0.023723
pbe
true
bdaca5fd833465f25d7f3db998530ea3_9_Cs8In4Br16
[ "Br", "Cs", "S" ]
5
A3BC
Br3CsS
Cs1 S1 Br3
3
[ 1, 1, 1 ]
3
[ [ 5.40811913, 0, 0 ], [ 0, 5.40811913, 0 ], [ 0, 0, 5.40811913 ] ]
agm002583363
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[{"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": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "S", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ -0.25318703, 0, 0 ], [ 0, -0.25318703, 0 ], [ 0, 0, -0.25318703 ] ]
-13.172215
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.076043
pbe
true
29b211f7fc7b0d5d2a87fccef23a9151_221_Cs1S1Br3
[ "Br", "Cs", "Sn" ]
14
A8B5C
Br8Cs5Sn
Cs5 Sn1 Br8
3
[ 1, 1, 1 ]
3
[ [ 9.04825922, -1e-8, -2.79236972 ], [ -4.66546838, 7.53460912, -3.33637292 ], [ 0.28267869, 0.00000108, 9.46511659 ] ]
agm006096353
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[{"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": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "Cs", "Sn", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.5714285714285714, 0.35714285714285715, 0.07142857142857142 ]
[ [ 0.48789048, 4e-8, 0.01087104 ], [ 6e-8, 0.47268885, 7e-8 ], [ 0.01087104, 1e-7, 0.480463 ] ]
-41.152982
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0.829234
3.62886
pbe
true
c959fd6aaf8d5016f92c82a852a43390_82_Cs5Sn1Br8
[ "Br", "I", "Pu" ]
4
A2BC
Br2IPu
Pu1 I1 Br2
3
[ 1, 1, 1 ]
3
[ [ 4.03474609, 0, 0 ], [ 2.01737305, 3.49419261, 0 ], [ 2.01737305, 1.16473087, 11.38007035 ] ]
agm001930301
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "I", "Br", "Br", "Pu" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 1.5297155, 0, 0 ], [ 0, 1.5297155, 0 ], [ 0, 0, 1.2548276 ] ]
-23.068926
[ -0.159, -0.057, -0.057, 5.548 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.00552291 ], [ 0, 0, 0.00552291 ], [ 0, 0, 0 ] ]
5.526633
11.66121
pbe
true
4bb5fe5f651f3eaacc1051f4efd73daf_166_Pu1I1Br2
[ "Br", "I", "Sc" ]
3
ABC
BrISc
Sc1 I1 Br1
3
[ 1, 1, 1 ]
3
[ [ 3.90995602, 0, 0 ], [ -1.95497801, 3.38612124, 0 ], [ 0, 0, 7.4185329 ] ]
agm001278067
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[{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "Sc", "Br" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.8586053, 0, 0 ], [ 0, 0.8586053, 0 ], [ 0, 0, 1.1689084 ] ]
-13.450796
[ 0, 0, 0 ]
[ [ 0, 0, 0.00527087 ], [ 0, 0, 0.00279358 ], [ 0, 0, -0.00806445 ] ]
0
1.939379
pbe
true
e93b496ff1bcf49109415aa8199e08be_156_Sc1I1Br1
[ "Br", "I", "Ru" ]
8
A2BC
BrI2Ru
Ru2 I4 Br2
3
[ 1, 1, 1 ]
3
[ [ 5.69990573, 0.02245838, -2.2574081 ], [ -3.86795572, 6.85681927, -1.62751858 ], [ -0.01467245, -0.38219707, 8.02991739 ] ]
agm005698475
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "Ru", "Ru", "I", "I", "I", "I", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 0.8939382, 0.12602815, 0.05673399 ], [ 0.12602814, 0.90918124, 0.03203072 ], [ 0.05673397, 0.03203071, 0.8007385 ] ]
-29.134128
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00118611, -0.00000514, 0.00052075 ], [ 0.00072344, 0.00086405, -0.00063883 ], [ -0.00075293, 0.00019232, 0.00142757 ], [ -0.00120871, 0.00104857, 0.00028526 ], [ 0.00011934, -0.00139239, -0.00053497 ], [ -0.00013862, -0.00090777, -0.00118149 ], [ -0.00093125, 0.00191672, -0.00236257 ], [ 0.00100262, -0.00171638, 0.00248428 ] ]
0.000542
10.365878
pbe
true
291d33219ed12a148112efc7469496cd_9_Ru2I4Br2
[ "Br", "I", "Ti" ]
12
A3B2C
Br3ITi2
Ti4 I2 Br6
3
[ 1, 1, 1 ]
3
[ [ 3.55355986, 0, 0 ], [ 0, 7.4976865, -0.88613641 ], [ 0, 1.0028763, 15.26477601 ] ]
agm005832208
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Ti", "Ti", "Ti", "Ti", "I", "I", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.5, 0.16666666666666666, 0.3333333333333333 ]
[ [ 0.8231898, 0, 0 ], [ 0, 0.88316005, -0.00065354 ], [ 0, -0.00065346, 0.8651342 ] ]
-55.227372
[ 0.413, 0.413, 0.001, 0.001, 0, 0, 0.01, 0.01, -0.003, -0.003, 0, 0 ]
[ [ 0, 0.00176256, -0.00462952 ], [ 0, -0.00176256, 0.00462952 ], [ 0, 0.00094626, -0.00242138 ], [ 0, -0.00094626, 0.00242138 ], [ 0, 0.00005384, 0.00226996 ], [ 0, -0.00005384, -0.00226996 ], [ 0, -0.00367028, -0.00053945 ], [ 0, 0.00367028, 0.00053945 ], [ 0, -0.0013734, 0.00538336 ], [ 0, 0.0013734, -0.00538336 ], [ 0, -0.00499028, 0.00077314 ], [ 0, 0.00499028, -0.00077314 ] ]
0.978086
7.647693
pbe
true
c4ab1927567469579eca6da71d1c681b_11_Ti4I2Br6
[ "Br", "I", "Zr" ]
10
A3BC
BrI3Zr
Zr2 I6 Br2
3
[ 1, 1, 1 ]
3
[ [ 3.55131375, -7e-8, 0 ], [ 0.00000279, 17.13516153, 0 ], [ 0, 0, 20.10630413 ] ]
agm2000103096
[ [ 3.551316387236741, 16.633162742400895, 10.053152668189126 ], [ 1.775658259289263, 8.065581841049276, 10.053152467126083 ], [ 1.6778809036610904, 16.614788231564745, 12.606304046196387 ], [ 1.8734383279075872, 16.614788056358496, 7.499999882740573 ], [ 0.0977799868813683, 8.047207669061727, 12.606304046196387 ], [ 3.453536348147897, 8.047207088861516, 7.5000002848666565 ], [ 9.102816657e-7, 5.5906176987695195, 10.053151863936959 ], [ 1.7756591802816657, 14.15819842876952, 10.053151863936959 ], [ 3.551315423297143, 10.276780158107364, 10.053151863936959 ], [ 1.7756571532970873, 1.709199085404132, 10.053151863936959 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "Zr", "Zr", "I", "I", "I", "I", "I", "I", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 0.11763224, 2e-8, 0 ], [ 2e-8, 0.14553617, 0 ], [ 0, 0, -0.09545962 ] ]
-36.689768
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00107786, 0 ], [ 0, -0.00107786, 0 ], [ -0.0000606, 0.00066674, -0.00499964 ], [ 0.0000606, 0.00066674, 0.00499964 ], [ 0.0000606, 0.00066674, -0.00499964 ], [ -0.0000606, 0.00066674, 0.00499964 ], [ 0, 0.00344571, 0 ], [ 0, 0.00344571, 0 ], [ 0, -0.00370132, 0 ], [ 0, -0.00370132, 0 ] ]
0.000004
6.534649
pbe
true
d480001d06de98f3d46e92237a88f79d_30_Zr2I6Br2
[ "Br", "N", "Os" ]
4
A2BC
BrNOs2
Os2 Br1 N1
3
[ 1, 1, 1 ]
3
[ [ 0, 2.97702455, 2.97702455 ], [ 2.97702455, 0, 2.97702455 ], [ 2.97702455, 2.97702455, 0 ] ]
agm002708228
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Os", "Os", "Br", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.117754, 0, 0 ], [ 0, 1.117754, 0 ], [ 0, 0, 1.117754 ] ]
-24.328293
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.13995
pbe
true
fa3710da70791fa614d912fd55344da9_225_Os2Br1N1
[ "Br", "Na", "O" ]
20
A3BC
BrNaO3
Br4 Na4 O12
3
[ 1, 1, 1 ]
3
[ [ 7.749286, 0, 0 ], [ 0, 7.387425, 0 ], [ 0, 0.040004, 7.536724 ] ]
mp-1413617
[ [ 4.1788489712159995, 1.1007130965, 0.9773246847000001 ], [ 0.30420597121599996, 6.3267159035, 6.5593993153 ], [ 3.567011844372, 4.790419772931, 2.796041700036 ], [ 7.441654844372, 2.637009227069, 4.740682299964 ], [ 2.739713569584, 0.9890989717570001, 4.799634555092 ], [ 5.01867009218, 4.696001174528, 6.5343924650680005 ], [ 6.614356569583999, 6.438330028243, 2.7370894449080003 ], [ 1.14402709218, 2.731427825472, 1.0023315349320001 ], [ 6.6853090322, 4.552574860547001, 5.8970569367320005 ], [ 5.190557004946, 3.046097650625, 3.5720303398 ], [ 5.49548365976, 1.95995252399, 2.9885748513400006 ], [ 6.154010234754, 1.799857289523, 6.790490346588 ], [ 1.62084065976, 5.46747647601, 4.54814914866 ], [ 2.279367234754, 5.6275717104769996, 0.7462336534120001 ], [ 1.064573662822, 0.862732444625, 5.4153246121 ], [ 4.939216662822, 6.564696555375, 2.1213993879 ], [ 1.3159140049459999, 4.3813313493749995, 3.9646936602000005 ], [ 2.5170300870879996, 6.758156360987, 0.23931359717200004 ], [ 6.391673087088, 0.6692726390129999, 7.2974104028280005 ], [ 2.8106660322, 2.8748541394530003, 1.6396670632680002 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Na", "Na", "Na", "Na", "Br", "Br", "Br", "Br", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-07-15 01:37:04
[ 0.2, 0.2, 0.6 ]
[ [ -19.23451929, 0.00029858, 0.00008829 ], [ 0.00029859, -7.70519001, 10.47828072 ], [ 0.0000883, 10.47827159, -14.97724282 ] ]
-77.040713
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[ [ 0.23151058, -0.3513841, -0.13173246 ], [ 0.2315007, 0.35146192, 0.13187283 ], [ -0.07940509, 0.23319709, -0.04967 ], [ -0.07937808, -0.23322975, 0.04968004 ], [ -0.25157346, 0.0051091, 0.04912598 ], [ 0.18589411, -0.06821895, -0.10748956 ], [ -0.25158083, -0.00516685, -0.04922135 ], [ 0.18590544, 0.06813923, 0.10747036 ], [ 0.03016176, -0.06577403, -0.10944083 ], [ -0.45157887, 1.68270835, 1.03630604 ], [ 0.22966094, -1.284889, -0.7778083 ], [ -0.41386001, 2.05088603, -0.96783647 ], [ 0.22960825, 1.28490175, 0.77778713 ], [ -0.41377509, -2.05087268, 0.9679669 ], [ 0.17301547, 0.03746363, -0.17540314 ], [ 0.17302119, -0.03745149, 0.17545293 ], [ -0.45156039, -1.68260561, -1.03633575 ], [ 0.34613757, 1.99557812, -0.92722305 ], [ 0.34616761, -1.99561342, 0.92712601 ], [ 0.0301282, 0.06576064, 0.10937267 ] ]
0.016
-0.69486
pbe
true
7d6cf59d7813cdbfc00f5660dfe6d7be_4_Na4Br4O12
[ "Br", "O", "Pt" ]
8
A2BC
Br2OPt
Pt2 Br4 O2
3
[ 1, 1, 1 ]
3
[ [ 5.0321826, 0, 0 ], [ 0, 5.0321826, 0 ], [ 2.5160913, 2.5160913, 6.7871808 ] ]
agm002873891
[ [ 2.5160913, 2.5160913, 0 ], [ 2.5160913, 5.0321826, 3.3935904 ], [ 3.6631604155364634, 1.25804565, 1.6967952 ], [ 1.3690221844635357, 3.7741369499999995, 1.6967952 ], [ 3.77413695, 3.885113484463536, 5.090385599999999 ], [ 6.290228249999999, 6.179251715536463, 5.090385599999999 ], [ 0, 0, 0 ], [ 5.0321826, 2.5160913, 3.3935904 ] ]
[{"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": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "O", "O", "Br", "Br", "Br", "Br", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.9203401, 0, 0 ], [ 0, 0.9203401, 0 ], [ 0, 0, -0.40330288 ] ]
-22.678965
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00390835, 0, 0 ], [ -0.00390835, 0, 0 ], [ 0, -0.00390835, 0 ], [ 0, 0.00390835, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
7.390346
pbe
true
147f757b34cb16d770120f0d52dfd901_122_Pt2Br4O2
[ "Br", "O", "Pu" ]
20
A3BC
Br3OPu
Pu4 Br12 O4
3
[ 1, 1, 1 ]
3
[ [ 10.78771243, -0.00000123, -1.6e-7 ], [ -0.00000132, 8.2842295, 1.44249656 ], [ -0.00000116, 2.88356921, 11.61795803 ] ]
agm005921531
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Pu", "Pu", "Pu", "Pu", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
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11.999974
25.023355
pbe
true
af9534bf0401750c12644af8f4d1cc96_13_Pu4Br12O4
[ "Br", "Pm", "Tl" ]
11
A8B2C
Br8Pm2Tl
Pm2 Tl1 Br8
3
[ 1, 1, 1 ]
3
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agm003534833
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[ "Pm", "Pm", "Tl", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.7272727272727273, 0.18181818181818182, 0.09090909090909091 ]
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-41.663464
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0
5.720988
pbe
true
304e722226e726a23fa57cf1c84f38d8_12_Pm2Tl1Br8
[ "Br", "Rb", "Re" ]
24
A8B3C
Br8Rb3Re
Rb6 Re2 Br16
3
[ 1, 1, 1 ]
3
[ [ 9.4997125, -1e-8, -2e-8 ], [ 0, 8.98447322, -5.18718812 ], [ -9.4e-7, 0.00000103, 10.37437828 ] ]
agm005963853
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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Re", "Re", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.25, 0.08333333333333333 ]
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-81.016471
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3.985114
16.378475
pbe
true
bff3f82c12d9aa8af130c6cb39f543cc_186_Rb6Re2Br16
[ "C", "Ce", "Tc" ]
18
A5B3C
C3Ce5Tc
Ce10 Tc2 C6
3
[ 1, 1, 1 ]
3
[ [ 7.12099163, -0.05916827, -0.03760324 ], [ 1.89248896, 6.86516629, -0.03760324 ], [ 2.64393732, 1.99641326, 7.1088491 ] ]
agm003564013
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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Tc", "Tc", "C", "C", "C", "C", "C", "C" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.5555555555555556, 0.1111111111111111 ]
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-137.022236
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0.044556
30.385094
pbe
true
de6bbbd66e4f68e3b13cf91717a273ff_12_Ce10Tc2C6
[ "C", "Cl", "Pt" ]
5
A3BC
C3ClPt
Pt1 C3 Cl1
3
[ 1, 1, 1 ]
3
[ [ 4.08308437, 0, 0 ], [ 0, 4.08308437, 0 ], [ 0, 0, 4.08308437 ] ]
agm002428584
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[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
[ "C", "C", "C", "Pt", "Cl" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ -0.7748067, 0, 0 ], [ 0, -0.7748067, 0 ], [ 0, 0, -0.7748067 ] ]
-23.062326
[ 0.616, 0.723, 0.285, 0.067, -0.014 ]
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3.000002
3.077497
pbe
true
961ef5db4205ab6a44964df29e4c718f_221_Pt1C3Cl1
[ "C", "Cs", "Na" ]
4
A2BC
C2CsNa
Cs1 Na1 C2
3
[ 1, 1, 1 ]
3
[ [ 4.89113375, 0, 0 ], [ 2.44556687, 4.23584608, 0 ], [ 2.44556687, 1.41194869, 3.99359398 ] ]
agm004148991
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[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Na", "C", "C" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.07277579, 0, 0 ], [ 0, 0.07277579, 0 ], [ 0, 0, 0.07277579 ] ]
-9.919946
[ 0, 0, 0.001, 0.001 ]
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0.00441
3.655307
pbe
true
1c520ddd5875408ed0a1948788a429cf_225_Cs1Na1C2
[ "C", "Cu", "H" ]
5
A3BC
CCu3H
Cu3 H1 C1
3
[ 1, 1, 1 ]
3
[ [ 3.8271352, 0, 0 ], [ 0, 3.8271352, 0 ], [ 0, 0, 3.8271352 ] ]
agm002492375
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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"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"]}]
[ "H", "C", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ -2.6123793, 0, 0 ], [ 0, -2.6123793, 0 ], [ 0, 0, -2.6123793 ] ]
-20.760853
[ 0.016, -0.009, -0.004, -0.003, -0.003 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.007571
1.612356
pbe
true
885e0ebbb83358af82048fe1b32f0b0b_221_Cu3H1C1
[ "C", "Dy", "Mn" ]
4
A2BC
C2DyMn
Dy1 Mn1 C2
3
[ 1, 1, 1 ]
3
[ [ 3.2492007, 0, 0 ], [ 1.62460035, 2.81389035, 0 ], [ 1.62460035, 0.93796345, 5.15290277 ] ]
agm001954611
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "C", "C", "Mn", "Dy" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.7431592, 0, 0 ], [ 0, 0.7431592, 0 ], [ 0, 0, 1.0394452 ] ]
-31.605246
[ -0.102, -0.102, 2.386, -0.071 ]
[ [ 0, 0, -0.00261921 ], [ 0, 0, 0.00261921 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.12287
1.955692
pbe
true
fd6e4f170d33bf66a49fbf2e9feed4e3_166_Dy1Mn1C2
[ "C", "Er", "Os" ]
14
A3B3C
C3Er3Os
Er6 Os2 C6
3
[ 1, 1, 1 ]
3
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agm005893720
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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agm002509502
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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0.000002
3.896933
pbe
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946b8faa70d60e92e8e72abd44246e20_11_Nb6C2S6
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7
A3B2C2
C3Pu2Th2
Pu2 Th2 C3
3
[ 1, 1, 1 ]
3
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agm005559609
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[ "Pu", "Pu", "Th", "Th", "C", "C", "C" ]
2023-11-16 06:57:59
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10.809725
14.86038
pbe
true
f1f146ddb1ed21ca58790f206e018692_12_Pu2Th2C3
[ "C", "Si", "Zr" ]
24
A2BC
CSiZr2
C1 Si1 Zr2
3
[ 1, 1, 1 ]
3
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oqmd-8981333
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2024-11-01 00:00:00
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-0.007575
null
pbe
true
c0555c80720dac8d79f2728f70b70d5e_167_Zr12Si6C6
[ "Ca", "Cd", "Hg" ]
16
A5B2C
Ca2CdHg5
Ca4 Cd2 Hg10
3
[ 1, 1, 1 ]
3
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agm005991315
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[ "Ca", "Ca", "Ca", "Ca", "Cd", "Cd", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.625 ]
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0
7.895927
pbe
true
8afb01e0b14cba827bb5803718fa8b3b_63_Ca4Cd2Hg10
[ "Ca", "Cd", "Pb" ]
12
A5B5C2
Ca5Cd2Pb5
Ca5 Cd2 Pb5
3
[ 1, 1, 1 ]
3
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agm005651333
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[ "Ca", "Ca", "Ca", "Ca", "Ca", "Cd", "Cd", "Pb", "Pb", "Pb", "Pb", "Pb" ]
2023-11-16 06:57:59
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0
4.90261
pbe
true
14fdbcf52e1ad4072bcc389df9a05cf3_12_Ca5Cd2Pb5
[ "Ca", "Cu", "In" ]
12
A4BC
CaCuIn4
Ca2 In8 Cu2
3
[ 1, 1, 1 ]
3
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agm002141292
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[ "Ca", "Ca", "Cu", "Cu", "In", "In", "In", "In", "In", "In", "In", "In" ]
2023-11-16 06:57:59
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0
5.469843
pbe
true
bd4e57af13710218f8d48cd5120709c2_51_Ca2In8Cu2
[ "Ca", "Dy", "Nd" ]
11
A6B3C2
Ca2Dy3Nd6
Ca2 Nd6 Dy3
3
[ 1, 1, 1 ]
3
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agm005591072
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[ "Ca", "Ca", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Dy", "Dy", "Dy" ]
2023-11-16 06:57:59
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-0.000012
13.131407
pbe
true
b16cb79fbf454aac5eaa480238b34fd3_166_Ca2Nd6Dy3
[ "Ca", "Er", "In" ]
6
ABC
CaErIn
Ca2 Er2 In2
3
[ 1, 1, 1 ]
3
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agm005624599
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[ "Ca", "Ca", "Er", "Er", "In", "In" ]
2023-11-16 06:57:59
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0.000004
1.914104
pbe
true
f2f48dd5e492c0c5172bd2b50dc888f3_194_Ca2Er2In2
[ "Ca", "Er", "Sm" ]
5
A2B2C
CaEr2Sm2
Ca1 Sm2 Er2
3
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3
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agm005936562
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[ "Ca", "Sm", "Sm", "Er", "Er" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
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-20.331831
[ 0, 0, 0, 0, 0 ]
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-0.000001
6.975876
pbe
true
18ba5eafe38a6f8df8413191cb39fe1b_65_Ca1Sm2Er2
[ "Ca", "Fe", "In" ]
4
A2BC
Ca2FeIn
Ca2 In1 Fe1
3
[ 1, 1, 1 ]
3
[ [ 5.02274581, 0, 0 ], [ 0, 5.02274581, 0 ], [ 0, 0, 4.09919397 ] ]
agm004113924
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[ "Ca", "Ca", "Fe", "In" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.4988732, 0, 0 ], [ 0, 2.4988732, 0 ], [ 0, 0, 2.1525645 ] ]
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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.50929
7.230594
pbe
true
96be301cecf01dd13c3fb9e775398ccf_123_Ca2In1Fe1
[ "Ca", "Fe", "La" ]
4
A2BC
Ca2FeLa
Ca2 La1 Fe1
3
[ 1, 1, 1 ]
3
[ [ 4.33419925, -0.31502668, 0.05951968 ], [ 2.49021337, 3.56137084, 0.05951968 ], [ 2.124529, 1.01062944, 7.80682315 ] ]
agm004352424
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Ca", "Ca", "Fe", "La" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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-16.134377
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0.198731
4.481129
pbe
true
e3dc0cfbac9096b722ee14774ca6c88b_8_Ca2La1Fe1
[ "Ca", "Fe", "Rh" ]
6
A3B2C
CaFe3Rh2
Ca1 Fe3 Rh2
3
[ 1, 1, 1 ]
3
[ [ 4.23211986, 0, 0 ], [ 0, 5.15024204, -0.00046493 ], [ 0, 2.57499085, 4.46049843 ] ]
agm002260140
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[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Ca", "Rh", "Rh", "Fe", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.5, 0.3333333333333333 ]
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-42.20763
[ -0.052, 0.779, 0.779, 2.802, 2.802, 2.801 ]
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9.75844
6.429545
pbe
true
859e49025b9e91613067ca899e791e98_191_Ca1Fe3Rh2
[ "Ca", "Hf", "O" ]
8
A2BC
CaHfO2
Ca2 Hf2 O4
3
[ 1, 1, 1 ]
3
[ [ 5.16745968, 0, 0 ], [ 0, 5.16745968, 0 ], [ 2.58372984, 2.58372984, 5.13814214 ] ]
agm002869617
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]
[ "Ca", "Ca", "Hf", "Hf", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ -0.06882801, 0, 0 ], [ 0, -0.06882801, 0 ], [ 0, 0, -0.42771164 ] ]
-63.15242
[ 0.183, 0.184, 0.462, 0.464, 0.07, 0.066, 0.063, 0.06 ]
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3.558119
3.960795
pbe
true
58fcdc86df92e7f93fc64634b7cf8157_122_Ca2Hf2O4
[ "Ca", "Ho", "Mg" ]
20
A6B3C
CaHo3Mg6
Ca2 Ho6 Mg12
3
[ 1, 1, 1 ]
3
[ [ 5.32489401, 0, 0 ], [ 0, 8.85760758, -2.72566311 ], [ 0, 0.21390969, 11.3354815 ] ]
agm006087335
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[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Ca", "Ca", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg" ]
2023-11-16 06:57:59
[ 0.1, 0.3, 0.6 ]
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-51.626794
[ 0, 0, 0.003, 0.003, 0.002, 0.002, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0.018509
17.856045
pbe
true
83fb76c36a2c9c1587f16ef51d1dfd97_11_Ca2Ho6Mg12
[ "Ca", "Ir", "Si" ]
11
A4B4C3
Ca3Ir4Si4
Ca3 Si4 Ir4
3
[ 1, 1, 1 ]
3
[ [ 4.23086026, -0.00039796, -0.00155999 ], [ 0.00101772, 3.99902598, -0.00034353 ], [ 2.11548731, 1.9922117, 12.23339261 ] ]
agm002316549
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[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Ca", "Ca", "Ca", "Ir", "Ir", "Ir", "Ir", "Si", "Si", "Si", "Si" ]
2023-11-16 06:57:59
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0
3.768729
pbe
true
e088f451c12c80c3fc871adf25cd89b3_71_Ca3Si4Ir4
[ "Ca", "Ir", "Zn" ]
3
ABC
CaIrZn
Ca1 Zn1 Ir1
3
[ 1, 1, 1 ]
3
[ [ 3.17103873, 0, 0 ], [ -1.58551937, 2.7462001, 0 ], [ 0, 0, 6.62630012 ] ]
agm004051866
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[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Ir", "Ca" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
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-11.773557
[ 0, 0, 0 ]
[ [ 0, 0, 0.000186 ], [ 0, 0, -0.0080031 ], [ 0, 0, 0.0078171 ] ]
0
0.429908
pbe
true
0f6370d053d041e4cc3fbb5a3e59c790_156_Ca1Zn1Ir1
[ "Ca", "Mn", "Ni" ]
4
A2BC
CaMnNi2
Ca1 Mn1 Ni2
3
[ 1, 1, 1 ]
3
[ [ 3.95446596, -0.90845075, 0.57909873 ], [ 2.72904905, 3.00256141, 0.57909873 ], [ 1.44174621, 0.45173477, 5.37790911 ] ]
agm003829098
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[ "Ni", "Ni", "Ca", "Mn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-22.521647
[ 0.528, 0.499, -0.012, 3.543 ]
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4.693432
3.415352
pbe
true
d39890d5eb98f5e41af7e42ee056821c_160_Ca1Mn1Ni2
[ "Ca", "Mn", "Zn" ]
5
A3BC
CaMnZn3
Ca1 Mn1 Zn3
3
[ 1, 1, 1 ]
3
[ [ 5.48642533, 0, 0 ], [ 0, 5.48642533, 0 ], [ 0, 0, 5.48642533 ] ]
agm002441232
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Zn", "Zn", "Mn", "Ca" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
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-9.30322
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4.079071
5.350576
pbe
true
6c76f8cdb54c2b65c64d6e7a4b11e2d0_221_Ca1Mn1Zn3
[ "Ca", "N", "W" ]
28
A4B2C
CaN4W2
Ca4 W8 N16
3
[ 1, 1, 1 ]
3
[ [ 3.0698167, 0, 0 ], [ 0, 10.34243761, 0 ], [ -0.00000102, 0, 10.10685339 ] ]
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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