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{
"id": "jvasp-65539",
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"structure_string": "Ba1 Cd2 Te1\n1.0\n4.235908 -0.000000 -0.000000\n0.000000 4.235908 0.000000\n-0.000000 0.000000 7.234914\nBa Cd Te\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.788135 Cd\n0.000000 0.000000 0.211864 Cd\n0.500000 0.500000 0.000000 Te\n",
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{
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"structure_string": "Ba1 Cd2 Te1\n1.0\n4.237323 0.000000 0.000000\n0.000000 4.237323 0.000000\n-0.000000 0.000000 7.232665\nBa Cd Te\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.288037 Cd\n0.000000 0.000000 0.711963 Cd\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "jvasp-99418",
"created_at": "2022-09-04T14:36:39.171499Z",
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"structure_string": "Ba2 Cd6\n1.0\n7.459906 -0.085995 0.000000\n-3.647627 6.507873 0.000000\n-0.000000 -0.000000 5.143227\nBa Cd\n2 6\ndirect\n0.333479 0.666521 0.250000 Ba\n0.666521 0.333480 0.750000 Ba\n0.142023 0.284322 0.750000 Cd\n0.715679 0.857978 0.750000 Cd\n0.142177 0.857822 0.750000 Cd\n0.857978 0.715679 0.250000 Cd\n0.284322 0.142023 0.250000 Cd\n0.857823 0.142178 0.250000 Cd\n",
"nsites": 8,
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},
{
"id": "jvasp-100036",
"created_at": "2022-09-04T14:36:37.526932Z",
"updated_at": "2022-09-04T14:36:37.526959Z",
"structure_string": "Ba1 Cd3 Ga1\n1.0\n4.551755 0.084831 -5.039247\n-0.611787 4.511253 -5.039247\n-0.072721 -0.084831 6.790229\nBa Cd Ga\n1 3 1\ndirect\n0.003467 0.003467 -0.000000 Ba\n0.743990 0.243989 0.500000 Cd\n0.243989 0.743989 0.499999 Cd\n0.388327 0.388326 -0.000000 Cd\n0.620227 0.620227 -0.000001 Ga\n",
"nsites": 5,
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"elements": [
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"density": 6.647843912548046,
"density_atomic": 0.03677705514016462,
"volume": 135.95433296505152,
"volume_molar": 16.374722600948967,
"formula_full": "Ba1 Cd3 Ga1",
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"formula_anonymous": "ABC3",
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"spacegroup": 107
},
{
"id": "jvasp-2766",
"created_at": "2022-09-04T14:36:40.998091Z",
"updated_at": "2022-09-04T14:36:40.998124Z",
"structure_string": "Ba1 Cd2 As2\n1.0\n2.291182 -3.968443 0.000000\n2.291182 3.968443 0.000000\n0.000000 0.000000 7.726782\nBa Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333333 0.368888 Cd\n0.333333 0.666666 0.631112 Cd\n0.666666 0.333333 0.738445 As\n0.333333 0.666666 0.261555 As\n",
"nsites": 5,
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"elements": [
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"chemical_system": "As-Ba-Cd",
"density": 6.05067813880017,
"density_atomic": 0.03558456111040525,
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"formula_full": "Ba1 Cd2 As2",
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"formula_anonymous": "AB2C2",
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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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{
"id": "jvasp-66375",
"created_at": "2022-09-04T14:35:47.562159Z",
"updated_at": "2022-09-04T14:35:47.562188Z",
"structure_string": "Ba1 Cd1 Bi1\n1.0\n0.000000 3.994505 3.994505\n3.994505 -0.000000 3.994505\n3.994505 3.994505 0.000000\nBa Cd Bi\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Cd\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "jvasp-117525",
"created_at": "2022-09-04T14:38:45.927892Z",
"updated_at": "2022-09-04T14:38:45.927912Z",
"structure_string": "Ba1 Cd1 Br1\n1.0\n4.153340 0.000000 0.000000\n0.000000 4.153340 0.000000\n0.000000 0.000000 9.362842\nBa Cd Br\n1 1 1\ndirect\n0.000000 0.000000 0.380497 Ba\n0.000000 0.000000 0.001330 Cd\n0.000000 0.000000 0.697348 Br\n",
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{
"id": "jvasp-66605",
"created_at": "2022-09-04T14:36:17.645346Z",
"updated_at": "2022-09-04T14:36:17.645370Z",
"structure_string": "Ba1 Cd1 Br1\n1.0\n0.000000 3.964750 3.964750\n3.964750 -0.000000 3.964750\n3.964750 3.964750 0.000000\nBa Cd Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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{
"id": "jvasp-119935",
"created_at": "2022-09-04T14:38:49.081044Z",
"updated_at": "2022-09-04T14:38:49.081064Z",
"structure_string": "Ba1 Cd1 Br1\n1.0\n0.000000 3.973727 3.973727\n3.973727 -0.000000 3.973727\n3.973727 3.973727 0.000000\nBa Cd Br\n1 1 1\ndirect\n0.250001 0.250001 0.250001 Ba\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Br\n",
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},
{
"id": "jvasp-117526",
"created_at": "2022-09-04T14:38:35.517784Z",
"updated_at": "2022-09-04T14:38:35.517804Z",
"structure_string": "Ba1 Cd1 Br2\n1.0\n4.480694 0.000000 0.000000\n0.000000 4.480694 -0.000000\n-0.000000 0.000000 6.685835\nBa Cd Br\n1 1 2\ndirect\n0.499999 0.499999 0.588094 Ba\n0.000000 0.000000 0.932694 Cd\n0.000000 0.000000 0.400614 Br\n0.499999 0.499999 0.088596 Br\n",
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{
"id": "jvasp-119944",
"created_at": "2022-09-04T14:38:52.225754Z",
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"structure_string": "Ba1 Cd1 Cl1\n1.0\n0.000000 3.883762 3.883762\n3.883762 -0.000000 3.883762\n3.883762 3.883762 0.000000\nBa Cd Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cl\n",
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