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{
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{
"id": "jvasp-14646",
"created_at": "2022-09-04T14:35:47.156037Z",
"updated_at": "2022-09-04T14:35:47.156063Z",
"structure_string": "Ti1 Fe1\n1.0\n2.945125 -0.000000 -0.000000\n0.000000 2.945125 0.000000\n-0.000000 0.000000 2.945125\nTi Fe\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Fe\n",
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{
"id": "jvasp-18711",
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"structure_string": "Ti6 Ga2\n1.0\n2.831162 -4.903716 0.000000\n2.831162 4.903716 -0.000000\n0.000000 0.000000 4.644693\nTi Ga\n6 2\ndirect\n0.660159 0.830079 0.749999 Ti\n0.830079 0.660159 0.250000 Ti\n0.339841 0.169920 0.250000 Ti\n0.169920 0.339841 0.749999 Ti\n0.169920 0.830079 0.749999 Ti\n0.830079 0.169920 0.250000 Ti\n0.666667 0.333333 0.749999 Ga\n0.333333 0.666667 0.250000 Ga\n",
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{
"id": "jvasp-18710",
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"structure_string": "Ti4 Ga2\n1.0\n2.260576 -3.915433 -0.000000\n2.260576 3.915433 0.000000\n-0.000000 0.000000 5.421285\nTi Ga\n4 2\ndirect\n0.666668 0.333334 0.250000 Ti\n0.333334 0.666668 0.750001 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.666668 0.333334 0.750001 Ga\n0.333334 0.666668 0.250000 Ga\n",
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"elements": [
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"density": 5.725759400520959,
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"volume": 95.9690385584271,
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"formula_full": "Ti4 Ga2",
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"spacegroup": 194
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{
"id": "jvasp-13119",
"created_at": "2022-09-04T14:37:07.727898Z",
"updated_at": "2022-09-04T14:37:07.727935Z",
"structure_string": "Ti10 Ga8\n1.0\n3.930338 -6.807546 0.000000\n3.930338 6.807546 0.000000\n-0.000000 0.000000 5.389113\nTi Ga\n10 8\ndirect\n0.333333 0.666667 0.000000 Ti\n0.714428 -0.000000 0.750000 Ti\n-0.000000 0.285573 0.250000 Ti\n-0.000000 0.714428 0.750000 Ti\n0.285573 0.285573 0.750000 Ti\n0.714427 0.714427 0.250000 Ti\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.000000 Ti\n0.666667 0.333333 0.500000 Ti\n0.285573 -0.000000 0.250000 Ti\n0.377533 0.377533 0.250000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.622467 -0.000000 0.250000 Ga\n0.622467 0.622467 0.750000 Ga\n-0.000000 0.377533 0.750000 Ga\n-0.000000 0.622467 0.250000 Ga\n0.377533 -0.000000 0.750000 Ga\n",
"nsites": 18,
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"elements": [
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"density": 5.968034963228784,
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"volume": 288.38174848806744,
"volume_molar": 9.648197122278107,
"formula_full": "Ti10 Ga8",
"formula_reduced": "Ti5Ga4",
"formula_anonymous": "A4B5",
"energy_above_hull": 2.238274551851852,
"spacegroup": 193
},
{
"id": "jvasp-54941",
"created_at": "2022-09-04T14:38:32.953772Z",
"updated_at": "2022-09-04T14:38:32.953788Z",
"structure_string": "Ti4 Ga8\n1.0\n3.876743 0.000000 -0.617051\n-0.098214 3.875499 -0.617051\n0.012063 0.012372 12.562496\nTi Ga\n4 8\ndirect\n0.200747 0.450747 0.901495 Ti\n0.049252 0.299252 0.598505 Ti\n0.950747 0.700748 0.401495 Ti\n0.799252 0.549253 0.098505 Ti\n0.463997 0.213997 0.427995 Ga\n0.536002 0.786002 0.572005 Ga\n0.286002 0.036002 0.072005 Ga\n0.713997 0.963997 0.927996 Ga\n0.125572 0.875572 0.751144 Ga\n0.375572 0.625572 0.251144 Ga\n0.874427 0.124428 0.248857 Ga\n0.624427 0.374427 0.748857 Ga\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Ga-Ti",
"density": 6.5897699153046565,
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"volume": 188.80207241206284,
"volume_molar": 9.474938798709626,
"formula_full": "Ti4 Ga8",
"formula_reduced": "TiGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7355209944444447,
"spacegroup": 141
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{
"id": "jvasp-30879",
"created_at": "2022-09-04T14:38:19.072312Z",
"updated_at": "2022-09-04T14:38:19.072327Z",
"structure_string": "Ti4 Ga6\n1.0\n6.288704 -0.000000 0.000000\n0.000000 6.288704 0.000000\n0.000000 0.000000 3.984315\nTi Ga\n4 6\ndirect\n0.872086 0.696870 0.499999 Ti\n0.696870 0.127913 0.499999 Ti\n0.303129 0.872086 0.499999 Ti\n0.127913 0.303129 0.499999 Ti\n0.818710 0.395175 0.000000 Ga\n0.604825 0.818710 0.000000 Ga\n0.181289 0.604825 0.000000 Ga\n0.395175 0.181289 0.000000 Ga\n0.500000 0.500000 0.499999 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 10,
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"elements": [
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"density": 6.42635654053045,
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"volume": 157.57088478684003,
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"formula_full": "Ti4 Ga6",
"formula_reduced": "Ti2Ga3",
"formula_anonymous": "A2B3",
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"spacegroup": 83
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{
"id": "jvasp-36227",
"created_at": "2022-09-04T14:36:51.828890Z",
"updated_at": "2022-09-04T14:36:51.828915Z",
"structure_string": "Ti2 Ga1\n1.0\n3.101183 3.101183 0.000000\n3.101183 -0.000000 -3.101183\n-0.000000 3.101183 -3.101183\nTi Ga\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ga\n",
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"volume": 59.650237813806584,
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"formula_full": "Ti2 Ga1",
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"spacegroup": 216
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{
"id": "jvasp-15034",
"created_at": "2022-09-04T14:36:51.385424Z",
"updated_at": "2022-09-04T14:36:51.385451Z",
"structure_string": "Ti1 Ga3\n1.0\n3.519549 -0.000000 -1.400704\n-0.557449 3.475122 -1.400704\n0.018665 0.021897 5.169038\nTi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250001 0.750000 0.500001 Ga\n0.750001 0.250000 0.500001 Ga\n0.500000 0.500000 0.000001 Ga\n",
"nsites": 4,
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"elements": [
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"density": 6.728150207750011,
"density_atomic": 0.06305399651332252,
"volume": 63.4376918385316,
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"formula_full": "Ti1 Ga3",
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"spacegroup": 139
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{
"id": "jvasp-15050",
"created_at": "2022-09-04T14:36:43.371390Z",
"updated_at": "2022-09-04T14:36:43.371413Z",
"structure_string": "Ti2 Ga2\n1.0\n3.973224 0.000000 0.000000\n0.000000 3.973224 -0.000000\n0.000000 -0.000000 3.951762\nTi Ga\n2 2\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n",
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"volume": 62.38452619777246,
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"formula_full": "Ti2 Ga2",
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"spacegroup": 123
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{
"id": "jvasp-53259",
"created_at": "2022-09-04T14:38:01.258036Z",
"updated_at": "2022-09-04T14:38:01.258058Z",
"structure_string": "Ti6 Ga2\n1.0\n5.438562 -0.000000 -0.000000\n-2.719280 4.709933 -0.000000\n-0.000000 0.000000 5.461991\nTi Ga\n6 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n",
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"formula_full": "Ti6 Ga2",
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"spacegroup": 191
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{
"id": "jvasp-37043",
"created_at": "2022-09-04T14:35:53.821671Z",
"updated_at": "2022-09-04T14:35:53.821701Z",
"structure_string": "Ti3 Ga1\n1.0\n3.188414 3.188414 0.000000\n3.188414 0.000000 -3.188414\n0.000000 3.188414 -3.188414\nTi Ga\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ga\n",
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{
"id": "jvasp-39629",
"created_at": "2022-09-04T14:38:29.526968Z",
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"structure_string": "Ti3 Ga1\n1.0\n-1.951805 1.951805 4.244062\n1.951805 -1.951805 4.244062\n1.951805 1.951805 -4.244062\nTi Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ga\n",
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"formula_full": "Ti3 Ga1",
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