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{
"id": "jvasp-52566",
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"structure_string": "Ti2 Ga4 O10\n1.0\n5.018960 -0.007570 0.008081\n-2.501893 5.049460 0.025251\n-0.014444 -2.443467 6.579067\nTi Ga O\n2 4 10\ndirect\n0.997716 0.997812 0.498379 Ti\n0.997689 0.997796 0.998377 Ti\n0.635540 0.274118 0.727100 Ga\n0.636185 0.274121 0.227098 Ga\n0.359162 0.721388 0.769789 Ga\n0.359818 0.721378 0.269786 Ga\n0.417369 0.171040 0.949314 O\n0.751292 0.171057 0.449318 O\n0.337095 0.365577 0.646101 O\n0.969264 0.629987 0.850787 O\n0.026086 0.365564 0.146107 O\n0.658337 0.629993 0.350790 O\n0.244258 0.824625 0.547619 O\n0.800094 -0.002195 0.748453 O\n0.577982 0.824605 0.047617 O\n0.195326 0.997788 0.248453 O\n",
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{
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"structure_string": "Ti2 Ga1 Ni1\n1.0\n3.077386 3.077386 0.000000\n3.077386 0.000000 -3.077386\n0.000000 3.077386 -3.077386\nTi Ga Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 Ti\n0.250000 0.250000 0.250000 Ga\n0.500001 0.500001 0.500001 Ni\n",
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},
{
"id": "jvasp-18706",
"created_at": "2022-09-04T14:35:57.157154Z",
"updated_at": "2022-09-04T14:35:57.157180Z",
"structure_string": "Ti1 Ga1 Ni2\n1.0\n3.599874 -0.000000 2.078389\n1.199958 3.393994 2.078389\n-0.000000 -0.000000 4.156776\nTi Ga Ni\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Ti\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250001 Ni\n0.750000 0.749999 0.750002 Ni\n",
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"formula_full": "Ti1 Ga1 Ni2",
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"spacegroup": 225
},
{
"id": "jvasp-18705",
"created_at": "2022-09-04T14:35:54.297316Z",
"updated_at": "2022-09-04T14:35:54.297345Z",
"structure_string": "Ti3 Ga3 Ni3\n1.0\n3.400678 -5.890148 0.000000\n3.400678 5.890148 -0.000000\n-0.000000 0.000000 3.115325\nTi Ga Ni\n3 3 3\ndirect\n0.391830 0.000000 0.499999 Ti\n0.608170 0.608170 0.499999 Ti\n0.000000 0.391830 0.499999 Ti\n0.725225 0.000000 0.000000 Ga\n0.274776 0.274776 0.000000 Ga\n0.000000 0.725225 0.000000 Ga\n0.000000 0.000000 0.499999 Ni\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
"nsites": 9,
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"density": 7.0365000538423415,
"density_atomic": 0.07211364279897595,
"volume": 124.80301439061134,
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"formula_full": "Ti3 Ga3 Ni3",
"formula_reduced": "TiGaNi",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-35478",
"created_at": "2022-09-04T14:37:47.013961Z",
"updated_at": "2022-09-04T14:37:47.013972Z",
"structure_string": "Ti1 Ga5 Ni1\n1.0\n4.145246 -0.000000 -0.000000\n-0.000000 4.145246 0.000000\n-0.000000 0.000000 6.380558\nTi Ga Ni\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.292074 Ga\n0.000000 0.500000 0.707926 Ga\n0.500000 0.000000 0.292074 Ga\n0.500000 0.000000 0.707926 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ni\n",
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"formula_full": "Ti1 Ga5 Ni1",
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"formula_anonymous": "ABC5",
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"spacegroup": 123
},
{
"id": "jvasp-35622",
"created_at": "2022-09-04T14:37:40.340332Z",
"updated_at": "2022-09-04T14:37:40.340363Z",
"structure_string": "Ti4 Ga2 N2\n1.0\n1.509891 -2.615208 0.000000\n1.509891 2.615208 -0.000000\n0.000000 -0.000000 13.250719\nTi Ga N\n4 2 2\ndirect\n0.666667 0.333332 0.412998 Ti\n0.333332 0.666667 0.587002 Ti\n0.333332 0.666667 0.912998 Ti\n0.666667 0.333332 0.087002 Ti\n0.666667 0.333332 0.750000 Ga\n0.333332 0.666667 0.250000 Ga\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
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"Ga",
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],
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"volume": 104.64567229212611,
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"formula_full": "Ti4 Ga2 N2",
"formula_reduced": "Ti2GaN",
"formula_anonymous": "ABC2",
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"spacegroup": 194
},
{
"id": "jvasp-40024",
"created_at": "2022-09-04T14:37:40.020722Z",
"updated_at": "2022-09-04T14:37:40.020740Z",
"structure_string": "Ti1 Ga1 Ir2\n1.0\n0.000006 3.088663 3.088664\n3.088667 0.000006 3.088664\n3.088669 3.088666 0.000003\nTi Ga Ir\n1 1 2\ndirect\n0.749999 0.749999 0.750003 Ti\n0.249999 0.250000 0.250001 Ga\n0.500000 0.500000 0.500003 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"Ga",
"Ir"
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"volume": 58.93069627838559,
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"formula_full": "Ti1 Ga1 Ir2",
"formula_reduced": "TiGaIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37051",
"created_at": "2022-09-04T14:35:46.699127Z",
"updated_at": "2022-09-04T14:35:46.699147Z",
"structure_string": "Ti2 Ga1 Fe1\n1.0\n3.039483 3.039483 0.000000\n3.039483 -0.000000 -3.039483\n0.000000 3.039483 -3.039483\nTi Ga Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Fe\n",
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"volume": 56.16026543187499,
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"formula_full": "Ti2 Ga1 Fe1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-80740",
"created_at": "2022-09-04T14:37:05.220733Z",
"updated_at": "2022-09-04T14:37:05.220757Z",
"structure_string": "Ti2 Ga1 Fe1\n1.0\n-3.039442 -3.039442 0.000000\n-3.039442 0.000000 -3.039442\n0.000000 -3.039442 -3.039442\nTi Ga Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Fe\n",
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"formula_full": "Ti2 Ga1 Fe1",
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},
{
"id": "jvasp-79356",
"created_at": "2022-09-04T14:36:50.183805Z",
"updated_at": "2022-09-04T14:36:50.183831Z",
"structure_string": "Ti1 Ga1 Fe2\n1.0\n-2.907260 -2.907260 -0.000000\n-2.907260 0.000000 -2.907260\n-0.000000 -2.907260 -2.907260\nTi Ga Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
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},
{
"id": "jvasp-51455",
"created_at": "2022-09-04T14:36:14.199234Z",
"updated_at": "2022-09-04T14:36:14.199245Z",
"structure_string": "Ti1 Ga1 Fe2\n1.0\n3.560657 0.000082 2.055872\n1.186930 3.357018 2.055928\n0.000067 0.000117 4.111626\nTi Ga Fe\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Ti\n1.000000 -0.000001 -0.000001 Ga\n0.250004 0.250004 0.250005 Fe\n0.749997 0.749996 0.749993 Fe\n",
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},
{
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"created_at": "2022-09-04T14:36:43.806575Z",
"updated_at": "2022-09-04T14:36:43.806601Z",
"structure_string": "Ti1 Ga1 Cu2\n1.0\n3.675941 -0.000000 2.122306\n1.225314 3.465710 2.122306\n-0.000000 -0.000000 4.244611\nTi Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.500000 0.500001 Ga\n0.250000 0.250000 0.250001 Cu\n0.749999 0.750000 0.750002 Cu\n",
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}
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