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{
"id": "jvasp-15420",
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"updated_at": "2022-09-04T14:36:57.663506Z",
"structure_string": "Tb1 Si2 Ag2\n1.0\n3.925703 -0.000000 -1.406225\n-0.503724 3.893251 -1.406225\n-0.019093 -0.021723 6.129425\nTb Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.607023 0.607023 0.214048 Si\n0.392978 0.392977 0.785953 Si\n0.250001 0.750000 0.500001 Ag\n0.750000 0.250000 0.500000 Ag\n",
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{
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{
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"volume": 178.48073816538596,
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"formula_full": "Tb4 Se2 O4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
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"created_at": "2022-09-04T14:36:51.772179Z",
"updated_at": "2022-09-04T14:36:51.772188Z",
"structure_string": "Tb2 Se1 O2\n1.0\n3.670561 -0.005342 -5.539171\n-0.337561 3.655010 -5.539171\n0.004879 0.005342 6.644954\nTb Se O\n2 1 2\ndirect\n0.344734 0.344735 0.000000 Tb\n0.655266 0.655266 0.000001 Tb\n0.000000 0.000000 0.000000 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"spacegroup": 139
},
{
"id": "jvasp-4131",
"created_at": "2022-09-04T14:36:51.050076Z",
"updated_at": "2022-09-04T14:36:51.050102Z",
"structure_string": "Tb4 Se3 N2\n1.0\n3.822286 0.000000 0.956313\n1.902523 6.668692 0.512608\n-0.012568 0.008813 8.167030\nTb Se N\n4 3 2\ndirect\n0.440951 0.267609 0.850490 Tb\n0.559049 0.732390 0.149510 Tb\n0.755380 0.128910 0.360332 Tb\n0.244620 0.871090 0.639668 Tb\n0.835744 0.558629 0.769881 Se\n0.000000 0.000000 0.000000 Se\n0.164256 0.441370 0.230119 Se\n0.351703 0.935074 0.361519 N\n0.648297 0.064925 0.638482 N\n",
"nsites": 9,
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"elements": [
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"density_atomic": 0.04321653196469581,
"volume": 208.25363792153024,
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"formula_full": "Tb4 Se3 N2",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 12
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{
"id": "jvasp-116938",
"created_at": "2022-09-04T14:38:47.569417Z",
"updated_at": "2022-09-04T14:38:47.569440Z",
"structure_string": "Tb4 Sc4 S12\n1.0\n6.371537 -0.000000 0.000000\n0.000000 7.038723 0.000000\n-0.000000 -0.000000 9.489407\nTb Sc S\n4 4 12\ndirect\n0.540756 0.397520 0.750000 Tb\n0.459244 0.602479 0.250000 Tb\n0.040756 0.102479 0.250000 Tb\n0.959244 0.897520 0.750000 Tb\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.143160 0.545268 0.750000 S\n0.856840 0.454731 0.250000 S\n0.673658 0.683824 0.930875 S\n0.326343 0.316175 0.430875 S\n0.173658 0.816175 0.430875 S\n0.173658 0.816175 0.069125 S\n0.673658 0.683824 0.569126 S\n0.326343 0.316175 0.069125 S\n0.356840 0.045268 0.750000 S\n0.826343 0.183825 0.569126 S\n0.826343 0.183825 0.930875 S\n0.643161 0.954731 0.250000 S\n",
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"volume": 425.57602886058385,
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"formula_full": "Tb4 Sc4 S12",
"formula_reduced": "TbScS3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
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{
"id": "jvasp-59139",
"created_at": "2022-09-04T14:38:34.288282Z",
"updated_at": "2022-09-04T14:38:34.288311Z",
"structure_string": "Tb4 Sc4 O12\n1.0\n5.455878 -0.000000 0.000000\n0.000000 5.757651 0.000000\n0.000000 0.000000 7.940728\nTb Sc O\n4 4 12\ndirect\n0.980612 0.063676 0.750000 Tb\n0.480612 0.436324 0.250000 Tb\n0.519388 0.563676 0.750000 Tb\n0.019388 0.936324 0.250000 Tb\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.372732 0.946293 0.750000 O\n0.872733 0.553706 0.250000 O\n0.690759 0.306100 0.933833 O\n0.190758 0.193900 0.066167 O\n0.809242 0.806100 0.566167 O\n0.190758 0.193900 0.433833 O\n0.309242 0.693900 0.066167 O\n0.809242 0.806100 0.933833 O\n0.627268 0.053706 0.250000 O\n0.690759 0.306100 0.566167 O\n0.309242 0.693900 0.433833 O\n0.127268 0.446293 0.750000 O\n",
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"elements": [
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"density_atomic": 0.08017882521055189,
"volume": 249.44241758942496,
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"formula_full": "Tb4 Sc4 O12",
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{
"id": "jvasp-15373",
"created_at": "2022-09-04T14:36:52.978204Z",
"updated_at": "2022-09-04T14:36:52.978220Z",
"structure_string": "Tb2 Sc2 Ge2\n1.0\n4.087105 -0.000000 -1.081791\n-0.286332 4.077062 -1.081791\n0.011597 0.012440 8.305433\nTb Sc Ge\n2 2 2\ndirect\n0.676400 0.676400 0.352799 Tb\n0.323600 0.323600 0.647200 Tb\n0.000000 0.500000 0.000000 Sc\n0.499999 0.000000 -0.000000 Sc\n0.129166 0.129166 0.258331 Ge\n0.870834 0.870834 0.741669 Ge\n",
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"volume": 138.50659452160286,
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"formula_full": "Tb2 Sc2 Ge2",
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"spacegroup": 139
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{
"id": "jvasp-87180",
"created_at": "2022-09-04T14:35:51.564642Z",
"updated_at": "2022-09-04T14:35:51.564669Z",
"structure_string": "Tb4 Sb4 Rh4\n1.0\n4.578438 -0.000000 0.000000\n0.000000 7.177275 0.000000\n0.000000 0.000000 7.846304\nTb Sb Rh\n4 4 4\ndirect\n0.250000 0.509510 0.799412 Tb\n0.750000 0.490489 0.200588 Tb\n0.250000 0.009510 0.700588 Tb\n0.750000 0.990489 0.299412 Tb\n0.250000 0.192959 0.091116 Sb\n0.750000 0.307041 0.591116 Sb\n0.250000 0.692958 0.408883 Sb\n0.750000 0.807041 0.908883 Sb\n0.750000 0.199321 0.918360 Rh\n0.250000 0.300679 0.418360 Rh\n0.750000 0.699320 0.581639 Rh\n0.250000 0.800679 0.081639 Rh\n",
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"volume": 257.83510930316004,
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"formula_full": "Tb4 Sb4 Rh4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-120609",
"created_at": "2022-09-04T14:38:53.528116Z",
"updated_at": "2022-09-04T14:38:53.528132Z",
"structure_string": "Tb4 Sb6 Rh7\n1.0\n7.183375 -0.000000 -2.539707\n-3.591688 6.220985 -2.539707\n-0.000000 -0.000000 7.619120\nTb Sb Rh\n4 6 7\ndirect\n0.500000 0.000000 -0.000000 Tb\n0.000000 0.500000 -0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.316394 0.316394 -0.000000 Sb\n0.000000 0.683607 0.683606 Sb\n0.316394 0.000000 0.316394 Sb\n0.683607 0.000000 0.683606 Sb\n0.000000 0.316394 0.316394 Sb\n0.683607 0.683607 -0.000000 Sb\n0.500000 0.250000 0.750000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.750001 0.250000 Rh\n0.750001 0.500000 0.250000 Rh\n0.250000 0.750001 0.500000 Rh\n0.250000 0.500000 0.750000 Rh\n0.750001 0.250000 0.500000 Rh\n",
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{
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"structure_string": "Tb10 Sb2 Pt4\n1.0\n6.948752 -0.091648 -5.221729\n-1.786627 6.715767 -5.221729\n0.071420 0.091648 8.691750\nTb Sb Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.795694 0.295695 0.812383 Tb\n0.204305 0.704306 0.187616 Tb\n0.483311 0.983312 0.187616 Tb\n0.295694 0.483312 0.500000 Tb\n0.016688 0.204306 0.500000 Tb\n0.516688 0.016688 0.812384 Tb\n0.704305 0.516688 0.500000 Tb\n0.983311 0.795695 0.500000 Tb\n0.250000 0.250000 -0.000000 Sb\n0.749999 0.750000 -0.000000 Sb\n0.139319 0.639320 0.778638 Pt\n0.860681 0.360681 0.221362 Pt\n0.639318 0.860681 0.500000 Pt\n0.360681 0.139319 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:36:46.115951Z",
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"structure_string": "Tb1 Sb1 Pt1\n1.0\n4.058639 0.000000 2.343256\n1.352879 3.826521 2.343256\n0.000000 0.000000 4.686513\nTb Sb Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
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}