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"structure_string": "Ba4 Sn1 Ge1\n1.0\n-0.000000 4.932068 4.932068\n4.932068 -0.000000 4.932068\n4.932068 4.932068 0.000000\nBa Sn Ge\n4 1 1\ndirect\n0.125217 0.624928 0.624928 Ba\n0.624928 0.624928 0.624928 Ba\n0.624928 0.125217 0.624928 Ba\n0.624928 0.624928 0.125217 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Ge\n",
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{
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"created_at": "2022-09-04T14:36:14.513919Z",
"updated_at": "2022-09-04T14:36:14.513950Z",
"structure_string": "Ba4 Sn1 Cl1\n1.0\n-0.000000 4.994206 4.994206\n4.994206 -0.000000 4.994206\n4.994206 4.994206 0.000000\nBa Sn Cl\n4 1 1\ndirect\n0.122611 0.625797 0.625797 Ba\n0.625797 0.625797 0.625797 Ba\n0.625797 0.122611 0.625797 Ba\n0.625797 0.625797 0.122611 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-64289",
"created_at": "2022-09-04T14:36:09.445101Z",
"updated_at": "2022-09-04T14:36:09.445126Z",
"structure_string": "Ba4 Sn1 Br1\n1.0\n0.000000 5.013732 5.013732\n5.013732 0.000000 5.013732\n5.013732 5.013732 -0.000000\nBa Sn Br\n4 1 1\ndirect\n0.122491 0.625836 0.625836 Ba\n0.625836 0.625836 0.625836 Ba\n0.625836 0.122491 0.625836 Ba\n0.625836 0.625836 0.122491 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Br\n",
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"formula_full": "Ba4 Sn1 Br1",
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{
"id": "jvasp-66133",
"created_at": "2022-09-04T14:35:46.381963Z",
"updated_at": "2022-09-04T14:35:46.381998Z",
"structure_string": "Ba4 Si1 W1\n1.0\n-0.000000 4.839586 4.839586\n4.839586 0.000000 4.839586\n4.839586 4.839586 0.000000\nBa Si W\n4 1 1\ndirect\n0.126182 0.624606 0.624606 Ba\n0.624606 0.624606 0.624606 Ba\n0.624606 0.126182 0.624606 Ba\n0.624606 0.624606 0.126182 Ba\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 W\n",
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{
"id": "jvasp-64026",
"created_at": "2022-09-04T14:36:04.907496Z",
"updated_at": "2022-09-04T14:36:04.907522Z",
"structure_string": "Ba4 Si1 Te1\n1.0\n-0.000000 4.895744 4.895744\n4.895744 -0.000000 4.895744\n4.895744 4.895744 -0.000000\nBa Si Te\n4 1 1\ndirect\n0.124900 0.625032 0.625032 Ba\n0.625032 0.625032 0.625032 Ba\n0.625032 0.124900 0.625032 Ba\n0.625032 0.625032 0.124900 Ba\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Te\n",
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"volume": 234.68541302377594,
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"formula_full": "Ba4 Si1 Te1",
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"spacegroup": 216
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{
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"created_at": "2022-09-04T14:36:09.779574Z",
"updated_at": "2022-09-04T14:36:09.779599Z",
"structure_string": "Ba4 Si1 Tc1\n1.0\n-0.000000 4.752417 4.752417\n4.752417 -0.000000 4.752417\n4.752417 4.752417 -0.000000\nBa Si Tc\n4 1 1\ndirect\n0.124766 0.625079 0.625079 Ba\n0.625079 0.625079 0.625079 Ba\n0.625079 0.124766 0.625079 Ba\n0.625079 0.625079 0.124766 Ba\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Tc\n",
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"volume": 214.67111789707624,
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"formula_full": "Ba4 Si1 Tc1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-64110",
"created_at": "2022-09-04T14:36:01.902960Z",
"updated_at": "2022-09-04T14:36:01.902985Z",
"structure_string": "Ba4 Si1 Sn1\n1.0\n-0.000000 4.915422 4.915422\n4.915422 0.000000 4.915422\n4.915422 4.915422 -0.000000\nBa Si Sn\n4 1 1\ndirect\n0.125580 0.624807 0.624807 Ba\n0.624807 0.624807 0.624807 Ba\n0.624807 0.125580 0.624807 Ba\n0.624807 0.624807 0.125580 Ba\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Ba4 Si1 Sn1",
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{
"id": "jvasp-66178",
"created_at": "2022-09-04T14:36:09.467850Z",
"updated_at": "2022-09-04T14:36:09.467866Z",
"structure_string": "Ba4 Si1 Se1\n1.0\n-0.000000 4.832323 4.832323\n4.832323 0.000000 4.832323\n4.832323 4.832323 0.000000\nBa Si Se\n4 1 1\ndirect\n0.125622 0.624792 0.624792 Ba\n0.624792 0.624792 0.624792 Ba\n0.624792 0.125622 0.624792 Ba\n0.624792 0.624792 0.125622 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Se\n",
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{
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"created_at": "2022-09-04T14:35:45.660208Z",
"updated_at": "2022-09-04T14:35:45.660229Z",
"structure_string": "Ba4 Si1 Sb1\n1.0\n0.000000 4.887363 4.887363\n4.887363 0.000000 4.887363\n4.887363 4.887363 -0.000000\nBa Si Sb\n4 1 1\ndirect\n0.125732 0.624755 0.624755 Ba\n0.624755 0.624755 0.624755 Ba\n0.624755 0.125732 0.624755 Ba\n0.624755 0.624755 0.125732 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Sb\n",
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{
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"created_at": "2022-09-04T14:36:13.477633Z",
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"structure_string": "Ba4 Si1 Ru1\n1.0\n0.000000 4.769077 4.769077\n4.769077 0.000000 4.769077\n4.769077 4.769077 0.000000\nBa Si Ru\n4 1 1\ndirect\n0.124660 0.625114 0.625114 Ba\n0.625114 0.625114 0.625114 Ba\n0.625114 0.124660 0.625114 Ba\n0.625114 0.625114 0.124660 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ru\n",
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