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{
"id": "jvasp-40234",
"created_at": "2022-09-04T14:37:48.848248Z",
"updated_at": "2022-09-04T14:37:48.848267Z",
"structure_string": "Ta1 Mn2 Al1\n1.0\n0.000000 2.994185 2.994185\n2.994185 0.000000 2.994185\n2.994185 2.994185 -0.000000\nTa Mn Al\n1 2 1\ndirect\n0.750002 0.750002 0.750002 Ta\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Mn\n0.250000 0.250000 0.250000 Al\n",
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{
"id": "jvasp-94853",
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"updated_at": "2022-09-04T14:36:22.282160Z",
"structure_string": "Ta1 Mn2 B4\n1.0\n-0.000000 -0.000000 3.034751\n3.176291 -0.000000 -0.000000\n-1.588145 6.440699 -1.517375\nTa Mn B\n1 2 4\ndirect\n0.500000 0.000000 0.000000 Ta\n0.187427 0.187427 0.374853 Mn\n0.812575 0.812574 0.625147 Mn\n0.353627 0.353627 0.707252 B\n0.646374 0.646374 0.292748 B\n0.927585 0.427585 0.855167 B\n0.072417 0.572416 0.144833 B\n",
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"formula_full": "Ta1 Mn2 B4",
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{
"id": "jvasp-71947",
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"updated_at": "2022-09-04T14:35:41.623053Z",
"structure_string": "Ta1 Mn2 Be1\n1.0\n-1.759347 1.759347 4.027496\n1.759347 -1.759347 4.027496\n1.759347 1.759347 -4.027496\nTa Mn Be\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750001 0.500001 Mn\n0.750001 0.250000 0.500001 Be\n",
"nsites": 4,
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"elements": [
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"density": 9.984698938680683,
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"volume": 49.86526354301913,
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},
{
"id": "jvasp-104687",
"created_at": "2022-09-04T14:36:50.010725Z",
"updated_at": "2022-09-04T14:36:50.010750Z",
"structure_string": "Ta1 Mn2 Fe1 O6\n1.0\n4.645795 0.045963 3.124299\n1.687900 4.328569 3.124299\n0.066548 0.045963 5.598234\nTa Mn Fe O\n1 2 1 6\ndirect\n0.782632 0.782631 0.782633 Ta\n0.485006 0.485006 0.485007 Mn\n0.986463 0.986462 0.986464 Mn\n0.277020 0.277019 0.277020 Fe\n0.690165 0.063905 0.400121 O\n0.063906 0.400120 0.690165 O\n0.400120 0.690165 0.063906 O\n0.179908 0.880900 0.582678 O\n0.880900 0.582678 0.179909 O\n0.582679 0.179907 0.880900 O\n",
"nsites": 10,
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"elements": [
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"density": 6.632408190531463,
"density_atomic": 0.09022909498197301,
"volume": 110.82899592418512,
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"formula_full": "Ta1 Mn2 Fe1 O6",
"formula_reduced": "TaMn2FeO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 146
},
{
"id": "jvasp-79878",
"created_at": "2022-09-04T14:36:52.512658Z",
"updated_at": "2022-09-04T14:36:52.512678Z",
"structure_string": "Ta1 Mn2 Ge1\n1.0\n-0.000030 2.975989 2.976018\n2.975972 0.000022 2.975975\n2.975993 2.975958 -0.000001\nTa Mn Ge\n1 2 1\ndirect\n0.750001 0.750000 0.749999 Ta\n0.499993 0.500008 0.499999 Mn\n0.000010 0.999997 0.999996 Mn\n0.250002 0.249995 0.250001 Ge\n",
"nsites": 4,
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"elements": [
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],
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"density": 11.449537986015722,
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"volume": 52.7135786809644,
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"formula_full": "Ta1 Mn2 Ge1",
"formula_reduced": "TaMn2Ge",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-18880",
"created_at": "2022-09-04T14:36:36.519364Z",
"updated_at": "2022-09-04T14:36:36.519389Z",
"structure_string": "Ta1 Mn2 O3\n1.0\n2.445257 -4.235310 -0.000000\n2.445257 4.235310 0.000000\n0.000000 -0.000000 3.032390\nTa Mn O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333334 0.666668 0.500000 Mn\n0.666668 0.333334 0.500000 Mn\n0.500001 0.500001 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
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"volume": 62.80941752791012,
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"formula_full": "Ta1 Mn2 O3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 191
},
{
"id": "jvasp-13820",
"created_at": "2022-09-04T14:38:16.534152Z",
"updated_at": "2022-09-04T14:38:16.534176Z",
"structure_string": "Ta1 Mn2 O3\n1.0\n2.445257 -4.235310 0.000000\n2.445257 4.235310 -0.000000\n0.000000 0.000000 3.032390\nTa Mn O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333334 0.666668 0.500000 Mn\n0.666668 0.333334 0.500000 Mn\n0.500001 0.500001 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
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"elements": [
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"density": 8.957692525411119,
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"formula_full": "Ta1 Mn2 O3",
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"spacegroup": 191
},
{
"id": "jvasp-77316",
"created_at": "2022-09-04T14:38:01.532963Z",
"updated_at": "2022-09-04T14:38:01.532983Z",
"structure_string": "Ta1 Mn2 Si1\n1.0\n-9.618968 3.316724 -0.137300\n-6.829977 1.086861 1.985345\n-5.630876 4.478398 -0.091549\nTa Mn Si\n1 2 1\ndirect\n0.500001 0.000000 -0.000001 Ta\n0.749964 0.000025 0.000024 Mn\n0.250037 -0.000025 -0.000026 Mn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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],
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"density": 10.447475041051218,
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"volume": 50.68800179592643,
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"formula_full": "Ta1 Mn2 Si1",
"formula_reduced": "TaMn2Si",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-105393",
"created_at": "2022-09-04T14:37:01.824114Z",
"updated_at": "2022-09-04T14:37:01.824126Z",
"structure_string": "Ta1 Mo1 S4\n1.0\n3.277370 0.000000 0.000000\n-0.000000 5.441311 1.649609\n-0.000000 0.063906 6.383501\nTa Mo S\n1 1 4\ndirect\n0.500000 0.664488 0.500425 Ta\n0.000000 0.167639 0.500000 Mo\n0.000000 0.409831 0.757405 S\n0.500000 0.918707 0.753800 S\n0.000000 0.583394 0.242133 S\n0.500000 0.089342 0.246035 S\n",
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"density": 5.927817261796221,
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"volume": 113.4926825133457,
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"formula_full": "Ta1 Mo1 S4",
"formula_reduced": "TaMoS4",
"formula_anonymous": "ABC4",
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"spacegroup": 6
},
{
"id": "jvasp-110992",
"created_at": "2022-09-04T14:38:48.737041Z",
"updated_at": "2022-09-04T14:38:48.737069Z",
"structure_string": "Ta1 Mo1 S4\n1.0\n6.309651 -0.057474 0.950567\n5.487278 3.115249 0.950567\n0.000895 0.000232 5.685894\nTa Mo S\n1 1 4\ndirect\n0.750116 0.750118 0.085177 Ta\n0.250071 0.250071 0.582442 Mo\n0.378595 0.378596 0.210364 S\n0.876897 0.876899 0.703558 S\n0.622948 0.622950 0.788568 S\n0.121270 0.121270 0.296593 S\n",
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"spacegroup": 8
},
{
"id": "jvasp-19720",
"created_at": "2022-09-04T14:38:18.230049Z",
"updated_at": "2022-09-04T14:38:18.230081Z",
"structure_string": "Ta1 N1\n1.0\n1.476810 -2.557909 0.000000\n1.476810 2.557909 -0.000000\n0.000000 0.000000 2.903292\nTa N\n1 1\ndirect\n0.333333 0.666667 0.500000 Ta\n0.000000 0.000000 0.000000 N\n",
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},
{
"id": "jvasp-78374",
"created_at": "2022-09-04T14:37:51.912323Z",
"updated_at": "2022-09-04T14:37:51.912339Z",
"structure_string": "Ta1 N1\n1.0\n-2.213142 -2.213142 0.000000\n-2.213142 0.000000 -2.213142\n-0.000000 -2.213142 -2.213142\nTa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 N\n",
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}