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{
"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",
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{
"id": "jvasp-13820",
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"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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"density": 8.957692525411119,
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"formula_full": "Ta1 Mn2 O3",
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"spacegroup": 191
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{
"id": "jvasp-18880",
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"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",
"nsites": 6,
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"elements": [
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"density": 8.957692525411119,
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"volume": 62.80941752791012,
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"formula_full": "Ta1 Mn2 O3",
"formula_reduced": "TaMn2O3",
"formula_anonymous": "AB2C3",
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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,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ta",
"density": 10.447475041051218,
"density_atomic": 0.07891413861813472,
"volume": 50.68800179592643,
"volume_molar": 7.6312570414550445,
"formula_full": "Ta1 Mn2 Si1",
"formula_reduced": "TaMn2Si",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40769",
"created_at": "2022-09-04T14:38:07.165687Z",
"updated_at": "2022-09-04T14:38:07.165710Z",
"structure_string": "Ta1 Mn1 As1\n1.0\n3.708150 -0.000001 2.140901\n1.236049 3.496078 2.140901\n-0.000001 -0.000000 4.281802\nTa Mn As\n1 1 1\ndirect\n0.249999 0.250001 0.250000 Ta\n0.500001 0.499999 0.499999 Mn\n0.999999 0.000001 -0.000000 As\n",
"nsites": 3,
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"elements": [
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"density": 9.297700119118481,
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"volume": 55.509215272979624,
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"formula_full": "Ta1 Mn1 As1",
"formula_reduced": "TaMnAs",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-94853",
"created_at": "2022-09-04T14:36:22.282133Z",
"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",
"nsites": 7,
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"elements": [
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"B"
],
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"density": 8.935268040077204,
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"volume": 62.08352257555374,
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"formula_full": "Ta1 Mn2 B4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 71
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{
"id": "jvasp-69410",
"created_at": "2022-09-04T14:36:07.566593Z",
"updated_at": "2022-09-04T14:36:07.566608Z",
"structure_string": "Ta1 Mn1 Be1\n1.0\n1.513802 -2.621981 0.000000\n1.513802 2.621981 0.000000\n0.000000 -0.000000 4.913979\nTa Mn Be\n1 1 1\ndirect\n0.333333 0.666666 0.670689 Ta\n0.666666 0.333333 0.298082 Mn\n-0.000000 0.000000 0.031229 Be\n",
"nsites": 3,
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"elements": [
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],
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"formula_full": "Ta1 Mn1 Be1",
"formula_reduced": "TaMnBe",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"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",
"nsites": 4,
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"elements": [
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"Mn",
"Be"
],
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"density": 9.023847298975518,
"density_atomic": 0.08560957315117879,
"volume": 46.723746571383565,
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"formula_full": "Ta1 Mn1 Be2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-64979",
"created_at": "2022-09-04T14:35:55.123102Z",
"updated_at": "2022-09-04T14:35:55.123125Z",
"structure_string": "Ta1 Mn1 Be2\n1.0\n-1.776007 1.776007 3.715118\n1.776007 -1.776007 3.715118\n1.776007 1.776007 -3.715118\nTa Mn Be\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Ta\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n",
"nsites": 4,
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"elements": [
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"density": 8.995130059359536,
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"formula_full": "Ta1 Mn1 Be2",
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"formula_anonymous": "ABC2",
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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",
"nsites": 9,
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"elements": [
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"density": 11.807957299328294,
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"formula_full": "Ta3 Mn3 Ge3",
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"spacegroup": 189
},
{
"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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},
{
"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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],
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"density": 11.306433893051551,
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"volume": 156.77124715211127,
"volume_molar": 7.8674876455896925,
"formula_full": "Ta4 Mn4 P4",
"formula_reduced": "TaMnP",
"formula_anonymous": "ABC",
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"spacegroup": 62
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}