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{
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{
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"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",
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{
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"structure_string": "Ti1 Ga1 Fe1 Co1\n1.0\n2.898677 2.898677 0.000000\n2.898677 -0.000000 -2.898677\n-0.000000 2.898677 -2.898677\nTi Ga Fe Co\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Ga\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
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"formula_full": "Ti1 Ga1 Fe1 Co1",
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"formula_anonymous": "ABCD",
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"spacegroup": 216
},
{
"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",
"nsites": 4,
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"elements": [
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],
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"density": 7.746945936306743,
"density_atomic": 0.08139078664457704,
"volume": 49.14561174433022,
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"formula_full": "Ti1 Ga1 Fe2",
"formula_reduced": "TiGaFe2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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",
"nsites": 4,
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"formula_full": "Ti1 Ga1 Fe2",
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"spacegroup": 225
},
{
"id": "jvasp-107226",
"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",
"nsites": 4,
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"formula_full": "Ti1 Ga1 Cu2",
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{
"id": "jvasp-17613",
"created_at": "2022-09-04T14:38:31.071063Z",
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"structure_string": "Ti1 Ga1 Co2\n1.0\n3.561494 0.000000 2.056230\n1.187164 3.357808 2.056230\n-0.000000 -0.000000 4.112458\nTi Ga Co\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Ti\n0.000000 0.000000 0.000000 Ga\n0.749998 0.750000 0.750001 Co\n0.249999 0.250000 0.250000 Co\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-75596",
"created_at": "2022-09-04T14:36:02.791394Z",
"updated_at": "2022-09-04T14:36:02.791421Z",
"structure_string": "Ti1 Ga1 As1\n1.0\n-0.000000 3.129307 3.129307\n3.129307 0.000000 3.129307\n3.129307 3.129307 0.000000\nTi Ga As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 Ga\n0.500001 0.500001 0.500001 As\n",
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"elements": [
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"volume": 61.28786750821059,
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"formula_full": "Ti1 Ga1 As1",
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{
"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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},
{
"id": "jvasp-35419",
"created_at": "2022-09-04T14:37:33.404442Z",
"updated_at": "2022-09-04T14:37:33.404463Z",
"structure_string": "Ti1 Ga5 Co1\n1.0\n4.074027 0.000000 0.000000\n-0.000000 4.074027 -0.000000\n0.000000 -0.000000 6.491515\nTi Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.296472 Ga\n0.000000 0.500000 0.703529 Ga\n0.500000 0.000000 0.296472 Ga\n0.500000 0.000000 0.703529 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 7,
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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",
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},
{
"id": "jvasp-52566",
"created_at": "2022-09-04T14:35:44.555589Z",
"updated_at": "2022-09-04T14:35:44.555608Z",
"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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"volume": 166.96860371828606,
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"formula_full": "Ti2 Ga4 O10",
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