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{
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{
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"created_at": "2022-09-04T14:35:59.743002Z",
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"structure_string": "Ta1 N1\n1.0\n2.710521 0.000000 1.564920\n0.903507 2.555504 1.564920\n0.000000 0.000000 3.129840\nTa N\n1 1\ndirect\n0.500001 0.499999 0.500000 Ta\n0.000000 0.000000 0.000000 N\n",
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{
"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",
"nsites": 6,
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"density_atomic": 0.05283875922444934,
"volume": 113.55300707408935,
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"formula_full": "Ta1 Mo1 S4",
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"formula_anonymous": "ABC4",
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"spacegroup": 8
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{
"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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"spacegroup": 6
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{
"id": "jvasp-16168",
"created_at": "2022-09-04T14:36:59.769431Z",
"updated_at": "2022-09-04T14:36:59.769441Z",
"structure_string": "Ta2 Mo2 N2\n1.0\n3.096853 0.000000 0.000000\n0.000000 3.096853 0.000000\n0.000000 0.000000 7.844377\nTa Mo N\n2 2 2\ndirect\n0.499999 0.000000 0.665268 Ta\n0.000000 0.499999 0.334732 Ta\n0.000000 0.499999 0.903357 Mo\n0.499999 0.000000 0.096643 Mo\n0.499999 0.000000 0.375683 N\n0.000000 0.499999 0.624317 N\n",
"nsites": 6,
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"elements": [
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"volume": 75.23148588024485,
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"formula_full": "Ta2 Mo2 N2",
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"spacegroup": 129
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{
"id": "jvasp-89931",
"created_at": "2022-09-04T14:36:11.395641Z",
"updated_at": "2022-09-04T14:36:11.395667Z",
"structure_string": "Ta3 Mn3 Si3\n1.0\n0.000000 0.000000 -3.480288\n-3.208387 -5.557090 0.000000\n-3.208342 5.557064 0.000000\nTa Mn Si\n3 3 3\ndirect\n0.500000 0.589101 0.000000 Ta\n0.500000 0.410896 0.410913 Ta\n0.500000 0.999983 0.589087 Ta\n0.000000 0.246923 0.000000 Mn\n0.000000 0.753050 0.753063 Mn\n0.000000 0.999986 0.246937 Mn\n0.000000 0.333319 0.666673 Si\n0.000000 0.666645 0.333326 Si\n0.500000 -0.000001 -0.000000 Si\n",
"nsites": 9,
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"elements": [
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"volume": 124.1010044271635,
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"formula_full": "Ta3 Mn3 Si3",
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"spacegroup": 189
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{
"id": "jvasp-40532",
"created_at": "2022-09-04T14:37:49.304078Z",
"updated_at": "2022-09-04T14:37:49.304098Z",
"structure_string": "Ta1 Mn1 Ru2\n1.0\n-0.000000 3.096801 3.096801\n3.096801 -0.000000 3.096801\n3.096801 3.096801 0.000000\nTa Mn Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ta\n0.249999 0.249999 0.249999 Mn\n0.000000 0.000000 0.000000 Ru\n0.499999 0.499999 0.499999 Ru\n",
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"elements": [
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"volume": 59.397735939504024,
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"formula_full": "Ta1 Mn1 Ru2",
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"spacegroup": 225
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{
"id": "jvasp-23525",
"created_at": "2022-09-04T14:37:33.937902Z",
"updated_at": "2022-09-04T14:37:33.937926Z",
"structure_string": "Ta4 Mn4 P4\n1.0\n3.673877 0.000000 0.000000\n-0.000000 6.086161 0.000000\n0.000000 0.000000 7.011297\nTa Mn P\n4 4 4\ndirect\n0.250000 0.521681 0.678006 Ta\n0.750001 0.478319 0.321994 Ta\n0.250000 0.021681 0.821995 Ta\n0.750001 0.978319 0.178006 Ta\n0.750001 0.848538 0.560546 Mn\n0.250000 0.151461 0.439454 Mn\n0.750001 0.348538 0.939454 Mn\n0.250000 0.651461 0.060546 Mn\n0.250000 0.280906 0.121976 P\n0.750001 0.719094 0.878024 P\n0.250000 0.780906 0.378024 P\n0.750001 0.219094 0.621976 P\n",
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"elements": [
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"density": 11.306433893051551,
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"volume": 156.77124715211127,
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"formula_full": "Ta4 Mn4 P4",
"formula_reduced": "TaMnP",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-116338",
"created_at": "2022-09-04T14:38:49.146716Z",
"updated_at": "2022-09-04T14:38:49.146740Z",
"structure_string": "Ta1 Mn1 O4\n1.0\n-1.941667 1.941667 4.681133\n1.941667 -1.941667 4.681133\n1.941667 1.941667 -4.681133\nTa Mn O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750002 0.250000 0.500002 Mn\n0.961720 0.461718 0.500002 O\n0.786087 0.786087 0.000000 O\n0.538283 0.038281 0.500002 O\n0.213912 0.213912 0.000000 O\n",
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"formula_full": "Ta1 Mn1 O4",
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"formula_anonymous": "ABC4",
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"spacegroup": 119
},
{
"id": "jvasp-89934",
"created_at": "2022-09-04T14:35:47.943114Z",
"updated_at": "2022-09-04T14:35:47.943133Z",
"structure_string": "Ta3 Mn3 Ge3\n1.0\n0.000000 0.000000 -3.561468\n-3.248166 -5.625988 0.000000\n-3.248067 5.625931 0.000000\nTa Mn Ge\n3 3 3\ndirect\n0.500000 0.587658 0.000000 Ta\n0.500000 0.412313 0.412306 Ta\n0.500000 0.000007 0.587694 Ta\n0.000000 0.247742 0.000000 Mn\n0.000000 0.752226 0.752240 Mn\n0.000000 -0.000014 0.247761 Mn\n0.000000 0.333329 0.666658 Ge\n0.000000 0.666672 0.333343 Ge\n0.500000 -0.000028 -0.000000 Ge\n",
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{
"id": "jvasp-69634",
"created_at": "2022-09-04T14:35:42.401322Z",
"updated_at": "2022-09-04T14:35:42.401342Z",
"structure_string": "Ta1 Mn1 Be2\n1.0\n3.516378 0.000000 0.000000\n0.000000 3.516378 0.000000\n-0.000000 0.000000 3.778736\nTa Mn Be\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
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