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{
"id": "jvasp-14650",
"created_at": "2022-09-04T14:36:32.074126Z",
"updated_at": "2022-09-04T14:36:32.074141Z",
"structure_string": "Th1 Ir5\n1.0\n2.672268 -4.628504 0.000000\n2.672268 4.628504 -0.000000\n-0.000000 -0.000000 4.378668\nTh Ir\n1 5\ndirect\n0.000000 0.000000 0.000000 Th\n0.333334 0.666667 0.000000 Ir\n0.666667 0.333334 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
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{
"id": "jvasp-19617",
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"structure_string": "Th2 Ir4\n1.0\n4.736192 -0.000000 2.734442\n1.578730 4.465325 2.734442\n0.000000 -0.000000 5.468884\nTh Ir\n2 4\ndirect\n0.875000 0.874999 0.874999 Th\n0.125000 0.125000 0.125000 Th\n0.500000 0.000000 0.500000 Ir\n0.000000 0.499999 0.500000 Ir\n0.500000 0.499999 0.500000 Ir\n0.500000 0.499999 -0.000000 Ir\n",
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{
"id": "jvasp-16784",
"created_at": "2022-09-04T14:38:31.677510Z",
"updated_at": "2022-09-04T14:38:31.677535Z",
"structure_string": "Ti1 Ir1\n1.0\n3.118967 0.000000 0.000000\n0.000000 3.118967 -0.000000\n-0.000000 0.000000 3.118967\nTi Ir\n1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Ir\n",
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"elements": [
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"chemical_system": "Ir-Ti",
"density": 13.13953440353365,
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"volume": 30.34117108125074,
"volume_molar": 9.135940153726667,
"formula_full": "Ti1 Ir1",
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},
{
"id": "jvasp-20075",
"created_at": "2022-09-04T14:36:19.135461Z",
"updated_at": "2022-09-04T14:36:19.135493Z",
"structure_string": "Ti1 Ir3\n1.0\n3.880775 0.000000 0.000000\n-0.000000 3.880775 -0.000000\n0.000000 -0.000000 3.880775\nTi Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.000000 Ir\n0.500001 0.000000 0.500001 Ir\n0.000000 0.500001 0.500001 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Ti",
"density": 17.74347447124912,
"density_atomic": 0.06843914883110182,
"volume": 58.44608047174047,
"volume_molar": 8.799263086777708,
"formula_full": "Ti1 Ir3",
"formula_reduced": "TiIr3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-19634",
"created_at": "2022-09-04T14:37:54.917295Z",
"updated_at": "2022-09-04T14:37:54.917319Z",
"structure_string": "Ti2 Ir2\n1.0\n3.492672 -0.000000 0.000000\n-0.000000 4.155674 0.000000\n0.000000 0.000000 4.155674\nTi Ir\n2 2\ndirect\n0.500000 0.499999 0.000000 Ti\n0.500000 0.000000 0.499999 Ti\n0.000000 0.499999 0.499999 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Ti",
"density": 13.219090214792306,
"density_atomic": 0.06631614103407846,
"volume": 60.31714055774876,
"volume_molar": 9.080957766986698,
"formula_full": "Ti2 Ir2",
"formula_reduced": "TiIr",
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"energy_above_hull": 2.367459716666666,
"spacegroup": 123
},
{
"id": "jvasp-14771",
"created_at": "2022-09-04T14:38:10.344316Z",
"updated_at": "2022-09-04T14:38:10.344341Z",
"structure_string": "Ti6 Ir2\n1.0\n5.002086 -0.000000 0.000000\n0.000000 5.002086 0.000000\n0.000000 0.000000 5.002086\nTi Ir\n6 2\ndirect\n0.500000 0.250000 0.000000 Ti\n0.500000 0.750001 0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.750001 0.000000 0.500000 Ti\n0.000000 0.500000 0.250000 Ti\n0.000000 0.500000 0.750001 Ti\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ir-Ti",
"density": 8.911064789872965,
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"volume": 125.15651528001703,
"volume_molar": 9.421376900591918,
"formula_full": "Ti6 Ir2",
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"spacegroup": 223
},
{
"id": "jvasp-79394",
"created_at": "2022-09-04T14:36:47.188259Z",
"updated_at": "2022-09-04T14:36:47.188281Z",
"structure_string": "Ti2 V1 Ir1\n1.0\n0.000003 3.099705 3.099708\n3.099711 0.000002 3.099709\n3.099707 3.099702 0.000006\nTi V Ir\n2 1 1\ndirect\n0.500001 0.500002 0.499999 Ti\n0.000001 0.000000 0.000000 Ti\n0.749998 0.750002 0.749997 V\n0.250001 0.250002 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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"V",
"Ir"
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"density_atomic": 0.06715352803628684,
"volume": 59.56500152662976,
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"formula_full": "Ti2 V1 Ir1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-79402",
"created_at": "2022-09-04T14:36:48.995461Z",
"updated_at": "2022-09-04T14:36:48.995474Z",
"structure_string": "Ti2 Ir1 W1\n1.0\n-0.000000 3.127384 3.127384\n3.127384 -0.000000 3.127384\n3.127384 3.127384 0.000000\nTi Ir W\n2 1 1\ndirect\n0.499998 0.499998 0.499998 Ti\n0.000000 0.000000 0.000000 Ti\n0.249999 0.249999 0.249999 Ir\n0.749999 0.749999 0.749999 W\n",
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"Ir",
"W"
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"volume": 61.17495034189873,
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"formula_full": "Ti2 Ir1 W1",
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"spacegroup": 225
},
{
"id": "jvasp-41278",
"created_at": "2022-09-04T14:37:52.381375Z",
"updated_at": "2022-09-04T14:37:52.381404Z",
"structure_string": "Ti1 Zn1 Ir2\n1.0\n0.000001 3.066552 3.066552\n3.066553 0.000001 3.066552\n3.066554 3.066553 -0.000000\nTi Zn Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499998 0.499998 Ir\n",
"nsites": 4,
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"Zn",
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],
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"formula_full": "Ti1 Zn1 Ir2",
"formula_reduced": "TiZnIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-90822",
"created_at": "2022-09-04T14:35:46.808590Z",
"updated_at": "2022-09-04T14:35:46.808616Z",
"structure_string": "Tl6 Ir2\n1.0\n5.718129 0.000000 -0.000000\n0.000000 5.718129 -0.000000\n-0.000000 0.000000 5.718129\nTl Ir\n6 2\ndirect\n0.000000 0.500000 0.750000 Tl\n0.500000 0.250000 0.000000 Tl\n0.750000 0.000000 0.500000 Tl\n0.000000 0.500000 0.250000 Tl\n0.500000 0.750000 0.000000 Tl\n0.250000 0.000000 0.500000 Tl\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 8,
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"volume": 186.96565968524988,
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},
{
"id": "jvasp-78982",
"created_at": "2022-09-04T14:37:11.750707Z",
"updated_at": "2022-09-04T14:37:11.750729Z",
"structure_string": "Tl3 Ir1\n1.0\n0.000000 3.625379 3.625379\n3.625379 0.000000 3.625379\n3.625379 3.625379 0.000000\nTl Ir\n3 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n0.250000 0.250000 0.250000 Tl\n0.749999 0.749999 0.749999 Ir\n",
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},
{
"id": "jvasp-18729",
"created_at": "2022-09-04T14:37:04.014796Z",
"updated_at": "2022-09-04T14:37:04.014820Z",
"structure_string": "Tm2 Ir4\n1.0\n4.611904 -0.000000 2.662685\n1.537301 4.348145 2.662685\n-0.000000 -0.000000 5.325368\nTm Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Tm\n0.874999 0.875001 0.874999 Tm\n-0.000000 0.500001 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.499999 0.500001 -0.000001 Ir\n0.499999 0.500001 0.499999 Ir\n",
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]
}