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{
"id": "jvasp-109046",
"created_at": "2022-09-04T14:37:48.347476Z",
"updated_at": "2022-09-04T14:37:48.347486Z",
"structure_string": "Ir1 Rh3\n1.0\n3.505139 -0.004821 -3.143224\n-0.701764 3.434174 -3.143224\n0.003941 0.004821 4.708061\nIr Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Ir\n0.750000 0.250000 0.500001 Rh\n0.250001 0.749999 0.500000 Rh\n0.500001 0.500000 0.000001 Rh\n",
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{
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{
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"structure_string": "Sm1 P2 Ru2\n1.0\n3.804698 0.000000 -1.463603\n-0.563023 3.762809 -1.463603\n0.005491 0.006374 5.691312\nSm P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.628078 0.628077 0.256154 P\n0.371923 0.371922 0.743847 P\n0.750000 0.250000 0.500000 Ru\n0.250001 0.750000 0.500000 Ru\n",
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"formula_full": "Sm1 P2 Ru2",
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},
{
"id": "jvasp-23358",
"created_at": "2022-09-04T14:37:32.669016Z",
"updated_at": "2022-09-04T14:37:32.669031Z",
"structure_string": "Pa6 Sb8\n1.0\n7.476120 0.000000 -2.643207\n-3.738060 6.474510 -2.643207\n-0.000000 -0.000000 7.929623\nPa Sb\n6 8\ndirect\n0.750000 0.875000 0.124999 Pa\n0.625000 0.375000 0.250000 Pa\n0.875000 0.125000 0.749999 Pa\n0.125000 0.750000 0.874999 Pa\n0.375000 0.250000 0.625000 Pa\n0.250000 0.625000 0.375000 Pa\n0.658219 0.658218 0.658218 Sb\n0.341781 0.500000 -0.000000 Sb\n0.500000 -0.000000 0.341781 Sb\n0.000000 0.341781 0.500000 Sb\n0.500000 0.000000 0.841781 Sb\n0.000000 0.841781 0.500000 Sb\n0.158219 0.158219 0.158218 Sb\n0.841781 0.500000 -0.000000 Sb\n",
"nsites": 14,
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"volume": 383.82716626195065,
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"formula_full": "Pa6 Sb8",
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"spacegroup": 220
},
{
"id": "jvasp-67089",
"created_at": "2022-09-04T14:35:41.814185Z",
"updated_at": "2022-09-04T14:35:41.814215Z",
"structure_string": "Be2 Bi1 W1\n1.0\n2.931058 0.000000 0.000000\n-0.000000 2.931058 -0.000000\n-0.000000 0.000000 8.003333\nBe Bi W\n2 1 1\ndirect\n0.000000 0.000000 0.022665 Be\n0.500000 0.500000 0.132528 Be\n0.000000 0.000000 0.517566 Bi\n0.500000 0.500000 0.827241 W\n",
"nsites": 4,
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{
"id": "jvasp-55528",
"created_at": "2022-09-04T14:36:54.390253Z",
"updated_at": "2022-09-04T14:36:54.390282Z",
"structure_string": "Ce2 B6 O12\n1.0\n5.689142 -0.016672 2.953521\n-0.167438 5.686702 2.953521\n-0.012716 -0.013057 6.431869\nCe B O\n2 6 12\ndirect\n0.801170 0.198829 0.750000 Ce\n0.198829 0.801170 0.250000 Ce\n0.792357 0.657450 0.916973 B\n0.342549 0.207641 0.583028 B\n0.220628 0.779371 0.750001 B\n0.657450 0.792358 0.416973 B\n0.779371 0.220629 0.250000 B\n0.207641 0.342549 0.083028 B\n0.218387 0.994384 0.785789 O\n0.786496 0.612260 0.500266 O\n0.387739 0.213503 0.999735 O\n0.789731 0.414336 0.009076 O\n0.585664 0.210268 0.490925 O\n0.210268 0.585664 0.990925 O\n0.414335 0.789731 0.509076 O\n0.781612 0.005615 0.214212 O\n0.994384 0.218388 0.285789 O\n0.612260 0.786497 0.000266 O\n0.005614 0.781612 0.714212 O\n0.213503 0.387740 0.499735 O\n",
"nsites": 20,
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"spacegroup": 15
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{
"id": "jvasp-20065",
"created_at": "2022-09-04T14:35:44.801387Z",
"updated_at": "2022-09-04T14:35:44.801404Z",
"structure_string": "Hf2 Si4\n1.0\n3.668269 -0.000000 0.000000\n-0.000000 3.586083 -0.903781\n0.000000 0.007686 7.596934\nHf Si\n2 4\ndirect\n0.250000 0.893790 0.787577 Hf\n0.750000 0.106211 0.212422 Hf\n0.250000 0.250399 0.500796 Si\n0.750000 0.749601 0.499204 Si\n0.750000 0.445889 0.891776 Si\n0.250000 0.554112 0.108224 Si\n",
"nsites": 6,
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"volume": 99.96099908654324,
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"spacegroup": 63
},
{
"id": "jvasp-106780",
"created_at": "2022-09-04T14:38:44.804755Z",
"updated_at": "2022-09-04T14:38:44.804789Z",
"structure_string": "Mg1 Fe1 C2 O6\n1.0\n4.284175 0.009836 -1.906831\n-1.721798 3.917362 1.916804\n-0.035573 0.008109 5.685068\nMg Fe C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.499999 0.500001 Fe\n0.250924 0.749073 0.752806 C\n0.749078 0.250928 0.247193 C\n0.245211 0.022969 0.752823 O\n0.530509 0.754784 0.752824 O\n0.977084 0.469459 0.752829 O\n0.469492 0.245218 0.247175 O\n0.022918 0.530542 0.247171 O\n0.754789 0.977031 0.247177 O\n",
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],
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"density_atomic": 0.10504145530603583,
"volume": 95.20050889303879,
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"formula_full": "Mg1 Fe1 C2 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 148
},
{
"id": "jvasp-67839",
"created_at": "2022-09-04T14:35:47.630894Z",
"updated_at": "2022-09-04T14:35:47.630920Z",
"structure_string": "Mg1 Be1 Mo2\n1.0\n-2.182488 2.182488 3.093659\n2.182488 -2.182488 3.093659\n2.182488 2.182488 -3.093659\nMg Be Mo\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Mg\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Mo\n0.250000 0.750000 0.500000 Mo\n",
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"spacegroup": 216
},
{
"id": "jvasp-53682",
"created_at": "2022-09-04T14:37:30.895997Z",
"updated_at": "2022-09-04T14:37:30.896021Z",
"structure_string": "Ti1 Cr2 S4\n1.0\n4.774756 0.013938 -0.005336\n-0.326470 4.917935 0.006706\n-0.305301 -0.528873 4.890258\nTi Cr S\n1 2 4\ndirect\n0.151025 0.092393 0.878185 Ti\n0.720391 0.278711 0.517308 Cr\n0.720198 0.731605 0.064312 Cr\n0.223710 0.235261 0.445295 S\n0.687210 0.226719 0.012444 S\n0.223556 0.659528 0.021020 S\n0.773914 0.775784 0.561437 S\n",
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{
"id": "jvasp-108023",
"created_at": "2022-09-04T14:38:19.218473Z",
"updated_at": "2022-09-04T14:38:19.218501Z",
"structure_string": "Mn2 V1 Sn1\n1.0\n3.678029 -0.000000 2.123511\n1.226010 3.467679 2.123511\n-0.000000 -0.000000 4.247022\nMn V Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.749999 Mn\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.499999 Sn\n",
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{
"id": "jvasp-43225",
"created_at": "2022-09-04T14:37:46.452586Z",
"updated_at": "2022-09-04T14:37:46.452604Z",
"structure_string": "Li2 Mn1 Cr3 O8\n1.0\n5.813508 -0.009927 -0.007019\n2.898157 5.039609 -0.007019\n2.898157 1.673252 4.753728\nLi Mn Cr O\n2 1 3 8\ndirect\n0.126945 0.126945 0.126945 Li\n0.873057 0.873055 0.873055 Li\n0.500001 0.500000 0.500000 Mn\n0.000001 0.500000 0.500000 Cr\n0.500001 -0.000000 0.500000 Cr\n0.500001 0.500000 -0.000000 Cr\n0.263159 0.263159 0.263159 O\n0.265624 0.265623 0.712438 O\n0.265624 0.712438 0.265624 O\n0.712439 0.265623 0.265624 O\n0.287563 0.734376 0.734376 O\n0.734377 0.287561 0.734376 O\n0.734377 0.734376 0.287562 O\n0.736843 0.736841 0.736841 O\n",
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