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{
"id": "jvasp-16527",
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{
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{
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"structure_string": "Sc2 Ga3 Cu1\n1.0\n3.245812 0.000000 0.000000\n0.000000 4.282328 0.000000\n0.000000 0.000000 7.403481\nSc Ga Cu\n2 3 1\ndirect\n0.000000 0.000000 0.001861 Sc\n0.000000 0.500000 0.499471 Sc\n0.500000 0.500000 0.836613 Ga\n0.500000 0.500000 0.176995 Ga\n0.500000 0.000000 0.655832 Ga\n0.500000 0.000000 0.329229 Cu\n",
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"formula_full": "Sc2 Ga3 Cu1",
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"formula_anonymous": "AB2C3",
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"spacegroup": 25
},
{
"id": "jvasp-50940",
"created_at": "2022-09-04T14:37:41.426506Z",
"updated_at": "2022-09-04T14:37:41.426523Z",
"structure_string": "Sc2 Ga2 O6\n1.0\n3.311933 0.000000 -0.000071\n-1.655967 2.868222 0.000065\n-0.000256 0.000120 11.865209\nSc Ga O\n2 2 6\ndirect\n0.999986 0.000068 0.000002 Sc\n0.000008 0.000003 0.500001 Sc\n0.333334 0.666659 0.250000 Ga\n0.666669 0.333345 0.750001 Ga\n0.333325 0.666722 0.083525 O\n0.000011 0.000005 0.249998 O\n0.333338 0.666669 0.416474 O\n-0.000006 0.000003 0.749999 O\n0.666673 0.333334 0.583525 O\n0.666651 0.333391 0.916476 O\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ga-O-Sc",
"density": 4.7933136677286035,
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"volume": 112.7118809421334,
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"formula_full": "Sc2 Ga2 O6",
"formula_reduced": "ScGaO3",
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"spacegroup": 194
},
{
"id": "jvasp-16526",
"created_at": "2022-09-04T14:37:55.307084Z",
"updated_at": "2022-09-04T14:37:55.307109Z",
"structure_string": "Sc2 Ga2\n1.0\n3.861471 0.000000 0.000000\n-0.000000 3.755493 -1.480116\n0.000000 -0.009239 5.481012\nSc Ga\n2 2\ndirect\n0.250000 0.861863 0.723727 Sc\n0.750000 0.138136 0.276271 Sc\n0.250000 0.582973 0.165948 Ga\n0.750000 0.417026 0.834051 Ga\n",
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"elements": [
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"formula_full": "Sc2 Ga2",
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{
"id": "jvasp-41857",
"created_at": "2022-09-04T14:37:35.680429Z",
"updated_at": "2022-09-04T14:37:35.680457Z",
"structure_string": "Sc2 Ga1 Tc1\n1.0\n-0.000000 3.275444 3.275449\n3.275465 -0.000006 3.275455\n3.275464 3.275449 -0.000006\nSc Ga Tc\n2 1 1\ndirect\n-0.000001 1.000000 -0.000000 Sc\n0.499999 0.500002 0.499999 Sc\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750002 0.749998 Tc\n",
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"spacegroup": 225
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{
"id": "jvasp-41851",
"created_at": "2022-09-04T14:37:36.086731Z",
"updated_at": "2022-09-04T14:37:36.086765Z",
"structure_string": "Sc2 Ga1 Ru1\n1.0\n0.000000 3.266181 3.266181\n3.266181 -0.000000 3.266181\n3.266181 3.266181 0.000000\nSc Ga Ru\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Sc\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Ru\n",
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"formula_full": "Sc2 Ga1 Ru1",
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{
"id": "jvasp-39107",
"created_at": "2022-09-04T14:37:43.998590Z",
"updated_at": "2022-09-04T14:37:43.998616Z",
"structure_string": "Sc2 Ga1 Pt1\n1.0\n0.000000 3.321471 3.321471\n3.321471 0.000000 3.321471\n3.321471 3.321471 0.000000\nSc Ga Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.250000 0.250000 0.250000 Ga\n0.749999 0.749999 0.749999 Pt\n",
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"formula_full": "Sc2 Ga1 Pt1",
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"spacegroup": 225
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{
"id": "jvasp-100503",
"created_at": "2022-09-04T14:36:39.675047Z",
"updated_at": "2022-09-04T14:36:39.675066Z",
"structure_string": "Sc2 Ga1 Pd1\n1.0\n4.076658 -0.000000 2.353660\n1.358886 3.843511 2.353660\n0.000000 0.000000 4.707320\nSc Ga Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750001 0.750000 0.750000 Sc\n0.500001 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Pd\n",
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},
{
"id": "jvasp-41850",
"created_at": "2022-09-04T14:37:35.858960Z",
"updated_at": "2022-09-04T14:37:35.858991Z",
"structure_string": "Sc2 Ga1 Os1\n1.0\n-0.000000 3.266847 3.266847\n3.266847 -0.000000 3.266847\n3.266847 3.266847 -0.000000\nSc Ga Os\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.249999 0.249999 0.249999 Ga\n0.750001 0.750001 0.750001 Os\n",
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{
"id": "jvasp-39117",
"created_at": "2022-09-04T14:37:55.279208Z",
"updated_at": "2022-09-04T14:37:55.279229Z",
"structure_string": "Sc2 Ga1 Ir1\n1.0\n-0.000000 3.280217 3.280217\n3.280217 -0.000000 3.280217\n3.280217 3.280217 -0.000000\nSc Ga Ir\n2 1 1\ndirect\n0.500002 0.500002 0.500002 Sc\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ga\n0.750001 0.750001 0.750001 Ir\n",
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{
"id": "jvasp-80458",
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"structure_string": "Sc2 Ga1 Hg1\n1.0\n-10.000638 -0.000000 -5.773870\n-6.549508 0.238653 -0.203660\n-5.629217 2.841629 -1.797651\nSc Ga Hg\n2 1 1\ndirect\n0.754330 0.000000 -0.000000 Sc\n0.245670 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 -0.000000 Hg\n",
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