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{
"id": "jvasp-65338",
"created_at": "2022-09-04T14:35:45.218287Z",
"updated_at": "2022-09-04T14:35:45.218313Z",
"structure_string": "Ba1 Sc2 Ir1\n1.0\n3.359847 0.000000 0.000000\n-0.000000 3.360899 0.000000\n0.000000 0.000000 9.251088\nBa Sc Ir\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.159305 Sc\n0.000000 0.000000 0.840695 Sc\n0.500000 0.500000 0.000000 Ir\n",
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"formula_full": "Ba1 Sc2 Ir1",
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{
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"created_at": "2022-09-04T14:36:58.306088Z",
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"structure_string": "Ba1 Sc1 Ir1\n1.0\n0.000000 3.402942 3.402942\n3.402942 0.000000 3.402942\n3.402942 3.402942 0.000000\nBa Sc Ir\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ir\n",
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"formula_full": "Ba1 Sc1 Ir1",
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{
"id": "jvasp-66256",
"created_at": "2022-09-04T14:35:55.840285Z",
"updated_at": "2022-09-04T14:35:55.840307Z",
"structure_string": "Ba4 Sb1 Ir1\n1.0\n-0.000000 4.770982 4.770982\n4.770982 0.000000 4.770982\n4.770982 4.770982 -0.000000\nBa Sb Ir\n4 1 1\ndirect\n0.126092 0.624636 0.624636 Ba\n0.624636 0.624636 0.624636 Ba\n0.624636 0.126092 0.624636 Ba\n0.624636 0.624636 0.126092 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Ir-Sb",
"density": 6.600091593317921,
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"volume": 217.1967536876468,
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"formula_full": "Ba4 Sb1 Ir1",
"formula_reduced": "Ba4SbIr",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-65502",
"created_at": "2022-09-04T14:36:09.174291Z",
"updated_at": "2022-09-04T14:36:09.174317Z",
"structure_string": "Ba1 Ir1 Ru1\n1.0\n-0.000000 3.355588 3.355588\n3.355588 -0.000000 3.355588\n3.355588 3.355588 -0.000000\nBa Ir Ru\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 3,
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"elements": [
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"density": 9.462401011439654,
"density_atomic": 0.03969952962849447,
"volume": 75.56764596643332,
"volume_molar": 15.169300030390255,
"formula_full": "Ba1 Ir1 Ru1",
"formula_reduced": "BaIrRu",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-66117",
"created_at": "2022-09-04T14:36:11.297261Z",
"updated_at": "2022-09-04T14:36:11.297284Z",
"structure_string": "Ba4 Re1 Ir1\n1.0\n0.000000 4.645922 4.645922\n4.645922 0.000000 4.645922\n4.645922 4.645922 -0.000000\nBa Re Ir\n4 1 1\ndirect\n0.125902 0.624699 0.624699 Ba\n0.624699 0.624699 0.624699 Ba\n0.624699 0.125902 0.624699 Ba\n0.624699 0.624699 0.125902 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
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"elements": [
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"Ir"
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"density": 7.681143806945709,
"density_atomic": 0.029916136914032117,
"volume": 200.5606545137086,
"volume_molar": 20.130074873321377,
"formula_full": "Ba4 Re1 Ir1",
"formula_reduced": "Ba4ReIr",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-65668",
"created_at": "2022-09-04T14:36:18.261327Z",
"updated_at": "2022-09-04T14:36:18.261360Z",
"structure_string": "Ba1 Ir1 Pt2\n1.0\n4.396082 0.000000 0.000000\n0.000000 4.396082 -0.000000\n0.000000 -0.000000 4.210300\nBa Ir Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ir\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 14.688019141978145,
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"volume": 81.36630822363325,
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"formula_full": "Ba1 Ir1 Pt2",
"formula_reduced": "BaIrPt2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-65518",
"created_at": "2022-09-04T14:36:12.779413Z",
"updated_at": "2022-09-04T14:36:12.779442Z",
"structure_string": "Ba1 Ir1 Pt2\n1.0\n3.370547 -0.000000 0.000000\n0.000000 3.370547 0.000000\n0.000000 0.000000 7.431239\nBa Ir Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.179542 Pt\n0.000000 0.000000 0.820458 Pt\n",
"nsites": 4,
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"elements": [
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"Ir",
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],
"chemical_system": "Ba-Ir-Pt",
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"density_atomic": 0.04738031975379894,
"volume": 84.42323776591401,
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"formula_full": "Ba1 Ir1 Pt2",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-65383",
"created_at": "2022-09-04T14:36:00.096507Z",
"updated_at": "2022-09-04T14:36:00.096522Z",
"structure_string": "Ba1 Ir2 Pd1\n1.0\n3.360261 -0.000000 -0.000000\n0.000000 3.360261 -0.000000\n0.000000 0.000000 7.457936\nBa Ir Pd\n1 2 1\ndirect\n0.500000 0.500000 0.748934 Ba\n0.000000 0.000000 0.085196 Ir\n0.500000 0.500000 0.222834 Ir\n0.000000 0.000000 0.443037 Pd\n",
"nsites": 4,
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"elements": [
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"Ir",
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],
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"density": 12.387087887413903,
"density_atomic": 0.04750018665975355,
"volume": 84.21019539675117,
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"formula_full": "Ba1 Ir2 Pd1",
"formula_reduced": "BaIr2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7136634674999995,
"spacegroup": 99
},
{
"id": "jvasp-66160",
"created_at": "2022-09-04T14:36:14.467940Z",
"updated_at": "2022-09-04T14:36:14.467967Z",
"structure_string": "Ba4 Ir1 Pb1\n1.0\n-0.000000 4.797526 4.797526\n4.797526 -0.000000 4.797526\n4.797526 4.797526 -0.000000\nBa Ir Pb\n4 1 1\ndirect\n0.126875 0.624376 0.624376 Ba\n0.624376 0.624376 0.624376 Ba\n0.624376 0.126875 0.624376 Ba\n0.624376 0.624376 0.126875 Ba\n0.250000 0.250000 0.250000 Ir\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
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"elements": [
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"Pb"
],
"chemical_system": "Ba-Ir-Pb",
"density": 7.133578349184798,
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"volume": 220.84217048518374,
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"formula_full": "Ba4 Ir1 Pb1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-22383",
"created_at": "2022-09-04T14:38:33.850769Z",
"updated_at": "2022-09-04T14:38:33.850792Z",
"structure_string": "Ba4 P4 Ir4\n1.0\n6.549196 0.000000 -0.000000\n-0.000000 6.549196 -0.000000\n0.000000 0.000000 6.549196\nBa P Ir\n4 4 4\ndirect\n0.626162 0.373838 0.873839 Ba\n0.373838 0.873839 0.626162 Ba\n0.126162 0.126162 0.126162 Ba\n0.873839 0.626162 0.373838 Ba\n0.155452 0.344549 0.655452 P\n0.655452 0.155452 0.344549 P\n0.344549 0.655452 0.155452 P\n0.844549 0.844549 0.844549 P\n0.595688 0.904313 0.095688 Ir\n0.095688 0.595688 0.904313 Ir\n0.404313 0.404313 0.404313 Ir\n0.904313 0.095688 0.595688 Ir\n",
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"elements": [
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"density": 8.524556459394153,
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"formula_full": "Ba4 P4 Ir4",
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"spacegroup": 198
},
{
"id": "jvasp-16406",
"created_at": "2022-09-04T14:38:17.545843Z",
"updated_at": "2022-09-04T14:38:17.545869Z",
"structure_string": "Ba1 P2 Ir2\n1.0\n3.831631 0.000000 -1.147449\n-0.343623 3.816191 -1.147449\n-0.002734 -0.002992 6.962002\nBa P Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.647383 0.647382 0.294764 P\n0.352619 0.352618 0.705236 P\n0.750001 0.250000 0.500000 Ir\n0.250001 0.750000 0.500000 Ir\n",
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},
{
"id": "jvasp-69008",
"created_at": "2022-09-04T14:35:50.542635Z",
"updated_at": "2022-09-04T14:35:50.542663Z",
"structure_string": "Ba1 P2 Ir1\n1.0\n4.489029 0.000000 0.000000\n0.000000 4.489029 -0.000000\n0.000000 -0.000000 4.248507\nBa P Ir\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 Ir\n",
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}