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{
"id": "jvasp-91546",
"created_at": "2022-09-04T14:35:55.195662Z",
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"structure_string": "Ba2 Cd2 P2 F2\n1.0\n4.372231 0.000000 -0.000000\n0.000000 4.372231 0.000000\n0.000000 -0.000000 9.507901\nBa Cd P F\n2 2 2 2\ndirect\n0.750000 0.750000 0.839971 Ba\n0.250000 0.250000 0.160029 Ba\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n0.750000 0.750000 0.327249 P\n0.250000 0.250000 0.672751 P\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:17.900335Z",
"updated_at": "2022-09-04T14:38:17.900358Z",
"structure_string": "Ba2 Cd2 Ge2\n1.0\n2.369888 -4.104766 -0.000000\n2.369888 4.104766 -0.000000\n-0.000000 0.000000 9.537622\nBa Cd Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666668 0.750000 Cd\n0.666668 0.333333 0.250000 Cd\n0.666668 0.333333 0.750000 Ge\n0.333333 0.666668 0.250000 Ge\n",
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{
"id": "jvasp-90623",
"created_at": "2022-09-04T14:36:11.053264Z",
"updated_at": "2022-09-04T14:36:11.053276Z",
"structure_string": "Ba2 Cd2 As2 F2\n1.0\n4.452586 0.000000 0.000000\n-0.000000 4.452586 -0.000000\n0.000000 0.000000 9.555973\nBa Cd As F\n2 2 2 2\ndirect\n0.750001 0.750001 0.844770 Ba\n0.250000 0.250000 0.155230 Ba\n0.250000 0.750001 0.500000 Cd\n0.750001 0.250000 0.500000 Cd\n0.750001 0.750001 0.320122 As\n0.250000 0.250000 0.679878 As\n0.250000 0.750001 0.000000 F\n0.750001 0.250000 0.000000 F\n",
"nsites": 8,
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],
"chemical_system": "As-Ba-Cd-F",
"density": 6.024291922612438,
"density_atomic": 0.04222702059841384,
"volume": 189.45215377805985,
"volume_molar": 14.261344216708029,
"formula_full": "Ba2 Cd2 As2 F2",
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"formula_anonymous": "ABCD",
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"spacegroup": 129
},
{
"id": "jvasp-69114",
"created_at": "2022-09-04T14:36:14.291596Z",
"updated_at": "2022-09-04T14:36:14.291622Z",
"structure_string": "Ba2 Cd1 Te1\n1.0\n0.000000 4.211088 4.211088\n4.211088 0.000000 4.211088\n4.211088 4.211088 0.000000\nBa Cd Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Cd-Te",
"density": 5.722170387206138,
"density_atomic": 0.026782249064045627,
"volume": 149.35265482874928,
"volume_molar": 22.485567756460544,
"formula_full": "Ba2 Cd1 Te1",
"formula_reduced": "Ba2CdTe",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-105117",
"created_at": "2022-09-04T14:36:49.380069Z",
"updated_at": "2022-09-04T14:36:49.380089Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n5.177059 -0.000000 2.988977\n1.725686 4.880978 2.988977\n-0.000000 -0.000000 5.977953\nBa Cd Sn\n2 1 1\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"density": 5.559861785460875,
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"volume": 151.05755841014962,
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"formula_full": "Ba2 Cd1 Sn1",
"formula_reduced": "Ba2CdSn",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-69243",
"created_at": "2022-09-04T14:35:45.094577Z",
"updated_at": "2022-09-04T14:35:45.094606Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n0.000000 4.224966 4.224966\n4.224966 0.000000 4.224966\n4.224966 4.224966 -0.000000\nBa Cd Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"formula_full": "Ba2 Cd1 Sn1",
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{
"id": "jvasp-69256",
"created_at": "2022-09-04T14:36:03.108578Z",
"updated_at": "2022-09-04T14:36:03.108605Z",
"structure_string": "Ba2 Cd1 Sb1\n1.0\n0.000000 4.208159 4.208159\n4.208159 0.000000 4.208159\n4.208159 4.208159 -0.000000\nBa Cd Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"formula_reduced": "Ba2CdSb",
"formula_anonymous": "ABC2",
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{
"id": "jvasp-34261",
"created_at": "2022-09-04T14:37:01.223033Z",
"updated_at": "2022-09-04T14:37:01.223051Z",
"structure_string": "Ba2 Cd1 Re1 O6\n1.0\n5.155694 -0.000013 2.976800\n1.718591 4.860969 2.976735\n0.000124 0.000007 5.953387\nBa Cd Re O\n2 1 1 6\ndirect\n0.749995 0.750004 0.749997 Ba\n0.250003 0.249997 0.250003 Ba\n0.000000 -0.000000 0.000000 Cd\n0.499999 0.500001 0.500000 Re\n0.269579 0.730421 0.269579 O\n0.730427 0.730412 0.269571 O\n0.269570 0.269590 0.730429 O\n0.730420 0.269580 0.730422 O\n0.269571 0.730417 0.730427 O\n0.730426 0.269586 0.269573 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.448697922628562,
"density_atomic": 0.06702409285167275,
"volume": 149.2000797702766,
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"formula_full": "Ba2 Cd1 Re1 O6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.049834069,
"spacegroup": 225
},
{
"id": "jvasp-40427",
"created_at": "2022-09-04T14:37:51.706989Z",
"updated_at": "2022-09-04T14:37:51.707012Z",
"structure_string": "Ba2 Cd1 Pb1\n1.0\n0.000000 4.248546 4.248546\n4.248546 0.000000 4.248546\n4.248546 4.248546 0.000000\nBa Cd Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Cd\n0.750001 0.750001 0.750001 Pb\n",
"nsites": 4,
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"formula_full": "Ba2 Cd1 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-69368",
"created_at": "2022-09-04T14:35:43.634443Z",
"updated_at": "2022-09-04T14:35:43.634472Z",
"structure_string": "Ba2 Cd1 Pb1\n1.0\n-0.000000 4.248545 4.248545\n4.248545 0.000000 4.248545\n4.248545 4.248545 -0.000000\nBa Cd Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Pb\n",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-104780",
"created_at": "2022-09-04T14:36:30.811022Z",
"updated_at": "2022-09-04T14:36:30.811046Z",
"structure_string": "Ba2 Cd1 N2\n1.0\n4.020899 0.000000 -1.173744\n-0.342557 4.006289 -1.173499\n0.021261 0.022757 7.546910\nBa Cd N\n2 1 2\ndirect\n0.840042 0.840043 0.180084 Ba\n0.159957 0.159958 0.819917 Ba\n0.500000 0.500000 0.500000 Cd\n0.350559 0.350559 0.201118 N\n0.649440 0.649441 0.798882 N\n",
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"spacegroup": 139
},
{
"id": "jvasp-105119",
"created_at": "2022-09-04T14:36:43.772119Z",
"updated_at": "2022-09-04T14:36:43.772145Z",
"structure_string": "Ba2 Cd1 In1\n1.0\n5.185894 -0.000000 2.994077\n1.728631 4.889308 2.994077\n-0.000000 -0.000000 5.988155\nBa Cd In\n2 1 1\ndirect\n0.749999 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
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]
}