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{
"id": "jvasp-18621",
"created_at": "2022-09-04T14:36:20.396219Z",
"updated_at": "2022-09-04T14:36:20.396248Z",
"structure_string": "Tb1 Pb1 Au1\n1.0\n4.182587 -0.000000 2.414818\n1.394196 3.943381 2.414818\n-0.000000 -0.000000 4.829635\nTb Pb Au\n1 1 1\ndirect\n0.500001 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 Au\n",
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{
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"created_at": "2022-09-04T14:38:13.236402Z",
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"structure_string": "Tb3 Pb1 C1\n1.0\n5.668313 0.000000 -0.000000\n-0.000000 5.668313 -0.000000\n0.000000 0.000000 5.668313\nTb Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Tb4 Pb4 O14\n1.0\n-0.000000 5.383901 5.383901\n5.383901 -0.000000 5.383901\n5.383901 5.383901 0.000000\nTb Pb O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.900569 0.349431 0.900569 O\n0.900569 0.900569 0.349431 O\n0.625000 0.625000 0.625000 O\n0.349431 0.349431 0.900569 O\n0.349431 0.900569 0.349431 O\n0.650569 0.650569 0.099431 O\n0.099431 0.650569 0.099431 O\n0.375000 0.375000 0.375000 O\n0.099431 0.099431 0.650569 O\n0.099431 0.650569 0.650569 O\n0.900569 0.349431 0.349431 O\n0.650569 0.099431 0.099431 O\n0.650569 0.099431 0.650569 O\n0.349431 0.900569 0.900569 O\n",
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"elements": [
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"volume": 312.11970797574554,
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"formula_full": "Tb4 Pb4 O14",
"formula_reduced": "Tb2Pb2O7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 227
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{
"id": "jvasp-53578",
"created_at": "2022-09-04T14:36:46.308018Z",
"updated_at": "2022-09-04T14:36:46.308051Z",
"structure_string": "Tb4 Pb2 S8\n1.0\n6.957101 -0.012538 -2.452029\n-3.489409 6.018758 -2.452029\n0.007239 0.012538 7.376562\nTb Pb S\n4 2 8\ndirect\n0.118796 0.750001 0.868795 Tb\n0.250000 0.618796 0.368795 Tb\n0.381205 0.250000 0.631205 Tb\n0.750000 0.881205 0.131205 Tb\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.750000 Pb\n0.013378 0.861485 0.496207 S\n0.138515 0.134723 0.151893 S\n0.361485 0.513378 0.996207 S\n0.634723 0.638516 0.651893 S\n0.486622 0.982830 0.848107 S\n0.482830 0.986623 0.348107 S\n0.865277 0.517170 0.003792 S\n0.017170 0.365278 0.503793 S\n",
"nsites": 14,
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"elements": [
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"S"
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"chemical_system": "Pb-S-Tb",
"density": 7.022008897170923,
"density_atomic": 0.04530963323874005,
"volume": 308.98506563125085,
"volume_molar": 13.291082556923076,
"formula_full": "Tb4 Pb2 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 122
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{
"id": "jvasp-108671",
"created_at": "2022-09-04T14:38:14.523712Z",
"updated_at": "2022-09-04T14:38:14.523733Z",
"structure_string": "Tb2 Pd1 Rh1\n1.0\n4.245404 -0.000000 2.451085\n1.415135 4.002605 2.451085\n0.000000 -0.000000 4.902170\nTb Pd Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tb\n0.749999 0.749999 0.750000 Tb\n0.499999 0.499999 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
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"volume": 83.30098296470999,
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{
"id": "jvasp-107698",
"created_at": "2022-09-04T14:36:58.830085Z",
"updated_at": "2022-09-04T14:36:58.830106Z",
"structure_string": "Tb1 Pm1 Ir2\n1.0\n4.261244 0.000000 2.460231\n1.420415 4.017540 2.460231\n-0.000000 -0.000000 4.920461\nTb Pm Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.499999 0.500000 0.500000 Pm\n0.249999 0.250000 0.250000 Ir\n0.749998 0.750000 0.750000 Ir\n",
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"elements": [
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{
"id": "jvasp-37522",
"created_at": "2022-09-04T14:37:55.759920Z",
"updated_at": "2022-09-04T14:37:55.759949Z",
"structure_string": "Tb1 Pm1 Rh2\n1.0\n-0.000000 3.469152 3.469152\n3.469152 -0.000000 3.469152\n3.469152 3.469152 -0.000000\nTb Pm Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tb\n0.249999 0.249999 0.249999 Pm\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
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"volume": 83.50259687132566,
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"spacegroup": 225
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{
"id": "jvasp-109684",
"created_at": "2022-09-04T14:38:28.180620Z",
"updated_at": "2022-09-04T14:38:28.180636Z",
"structure_string": "Tb1 Pr1 Fe4\n1.0\n4.482905 -0.000000 2.588207\n-2.988604 4.226524 0.000000\n-0.000000 -0.000000 5.176413\nTb Pr Fe\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500001 0.749999 0.750000 Pr\n0.748881 0.374440 0.876679 Fe\n0.251121 0.374440 0.374440 Fe\n0.251121 0.876679 0.374440 Fe\n0.748881 0.374440 0.374440 Fe\n",
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"volume": 98.07804359641204,
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"formula_full": "Tb1 Pr1 Fe4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-49916",
"created_at": "2022-09-04T14:36:30.655804Z",
"updated_at": "2022-09-04T14:36:30.655832Z",
"structure_string": "Tb4 Pt4 O14\n1.0\n-5.139106 5.139106 -0.000000\n5.139106 -0.000000 5.139106\n5.139106 5.139106 0.000000\nTb Pt O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.340243 0.250000 0.909758 O\n0.659758 0.750001 0.659758 O\n0.375000 0.750001 0.375000 O\n0.090243 0.180486 0.659758 O\n0.090243 0.750001 0.090243 O\n0.909758 0.819515 0.340243 O\n0.659758 0.750001 0.090243 O\n0.909758 0.250000 0.909758 O\n0.340243 0.250000 0.340243 O\n0.340243 0.680486 0.909758 O\n0.659758 0.319514 0.090243 O\n0.909758 0.250000 0.340243 O\n0.625000 0.250000 0.625000 O\n0.090243 0.750001 0.659758 O\n",
"nsites": 22,
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"elements": [
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"formula_full": "Tb4 Pt4 O14",
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{
"id": "jvasp-102094",
"created_at": "2022-09-04T14:36:39.938716Z",
"updated_at": "2022-09-04T14:36:39.938736Z",
"structure_string": "Rb3 Tb1 Cl6\n1.0\n6.935284 -0.000000 4.004089\n2.311761 6.538649 4.004089\n-0.000000 -0.000000 8.008177\nTb Rb Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.767857 0.232142 0.232143 Cl\n0.232142 0.232142 0.767858 Cl\n0.232142 0.767858 0.767858 Cl\n0.232142 0.767858 0.232142 Cl\n0.767857 0.232142 0.767859 Cl\n0.767857 0.767858 0.232143 Cl\n",
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"elements": [
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"density_atomic": 0.02753683749298718,
"volume": 363.1499079204976,
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"formula_full": "Rb3 Tb1 Cl6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-110077",
"created_at": "2022-09-04T14:37:59.007172Z",
"updated_at": "2022-09-04T14:37:59.007192Z",
"structure_string": "Rb3 Tb1 F6\n1.0\n6.060573 0.131809 -3.315337\n-2.071098 5.697234 -3.315337\n-0.090212 -0.131809 6.907523\nTb Rb F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.499999 Rb\n0.249999 0.749999 0.499999 Rb\n0.499999 0.500000 -0.000001 Rb\n-0.000000 0.311212 0.311212 F\n-0.000000 0.688787 0.688786 F\n0.311213 -0.000000 0.311212 F\n0.688787 -0.000000 0.688787 F\n0.230580 0.230580 -0.000000 F\n0.769419 0.769420 -0.000001 F\n",
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"density_atomic": 0.04252168713799159,
"volume": 235.17411168442,
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"spacegroup": 139
},
{
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"created_at": "2022-09-04T14:38:32.573953Z",
"updated_at": "2022-09-04T14:38:32.573978Z",
"structure_string": "Rb4 Tb2 F12\n1.0\n7.100639 -0.000000 0.196580\n3.550319 5.889234 0.098290\n0.030901 -0.000000 7.411844\nTb Rb F\n2 4 12\ndirect\n0.959146 0.081709 0.750000 Tb\n0.040854 0.918291 0.250000 Tb\n0.679136 0.684542 0.000510 Rb\n0.636322 0.684542 0.499489 Rb\n0.363678 0.315458 0.500510 Rb\n0.320864 0.315458 0.999489 Rb\n0.390743 0.608455 0.225415 F\n0.000802 0.608455 0.274585 F\n0.704688 0.981529 0.728817 F\n0.933098 0.206536 0.044761 F\n0.686217 0.018470 0.228817 F\n0.999198 0.391544 0.725414 F\n0.609257 0.391544 0.774585 F\n0.139634 0.793464 0.544761 F\n0.066902 0.793464 0.955238 F\n0.860366 0.206536 0.455239 F\n0.295312 0.018470 0.271183 F\n0.313783 0.981529 0.771182 F\n",
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}