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"id": "jvasp-104957",
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"structure_string": "Tl2 Sn4 Br10\n1.0\n7.461871 0.000000 -3.753848\n-1.888451 7.218954 -3.753848\n-0.021749 -0.028170 9.250020\nTl Sn Br\n2 4 10\ndirect\n0.250000 0.250000 0.500000 Tl\n0.750000 0.750000 0.499999 Tl\n0.671390 0.828609 -0.000001 Sn\n0.828609 0.328610 -0.000000 Sn\n0.171389 0.671390 -0.000000 Sn\n0.328610 0.171389 -0.000000 Sn\n0.018321 0.203035 0.721356 Br\n0.203035 0.703035 0.721355 Br\n0.500000 0.500000 -0.000000 Br\n0.518321 0.018322 0.721356 Br\n0.981678 0.796964 0.278643 Br\n0.703035 0.518321 0.721355 Br\n0.796965 0.296965 0.278644 Br\n0.481678 0.981678 0.278644 Br\n0.000000 0.000000 0.000000 Br\n0.296965 0.481678 0.278644 Br\n",
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{
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"created_at": "2022-09-04T14:37:28.433762Z",
"updated_at": "2022-09-04T14:37:28.433777Z",
"structure_string": "Ca3 As1 N1\n1.0\n5.373896 0.000000 0.000000\n0.000000 5.373896 -0.000000\n0.000000 0.000000 5.373896\nCa As N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 N\n",
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"created_at": "2022-09-04T14:36:15.062624Z",
"updated_at": "2022-09-04T14:36:15.062644Z",
"structure_string": "Te8 Mo2 Br2\n1.0\n6.710467 0.002891 -1.538013\n-2.309138 6.919442 -3.073602\n0.005085 0.053701 7.990969\nTe Mo Br\n8 2 2\ndirect\n0.879591 0.668248 0.827251 Te\n0.037598 0.888372 0.232578 Te\n0.962403 0.111627 0.767423 Te\n0.538008 0.238349 0.931986 Te\n0.611295 0.144826 0.311082 Te\n0.388706 0.855174 0.688918 Te\n0.120409 0.331751 0.172750 Te\n0.461993 0.761651 0.068015 Te\n0.781610 0.999804 0.001499 Mo\n0.218391 0.000195 0.998501 Mo\n0.743716 0.598435 0.415631 Br\n0.256284 0.401565 0.584370 Br\n",
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"density": 6.119164472013755,
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{
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"created_at": "2022-09-04T14:36:41.666294Z",
"updated_at": "2022-09-04T14:36:41.666315Z",
"structure_string": "Sm2 Ho6\n1.0\n7.144966 -0.000000 0.000000\n-3.572483 6.187723 0.000000\n-0.000000 -0.000000 5.616082\nSm Ho\n2 6\ndirect\n0.333334 0.666666 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.165816 0.331631 0.250000 Ho\n0.668370 0.834184 0.250000 Ho\n0.165816 0.834184 0.250000 Ho\n0.834185 0.668369 0.750000 Ho\n0.331631 0.165815 0.750000 Ho\n0.834185 0.165815 0.750000 Ho\n",
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{
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"structure_string": "In2 Cu2 Te4\n1.0\n5.731973 -0.000000 -2.561264\n-1.144470 5.616556 -2.561264\n0.005176 0.006337 7.706142\nIn Cu Te\n2 2 4\ndirect\n0.500000 0.500000 0.000001 In\n0.750000 0.250000 0.500001 In\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750001 0.500001 Cu\n0.340652 0.375000 0.250000 Te\n0.125001 0.659349 0.750001 Te\n0.625000 0.090652 0.750000 Te\n0.909348 0.875001 0.250001 Te\n",
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{
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"created_at": "2022-09-04T14:38:07.371115Z",
"updated_at": "2022-09-04T14:38:07.371140Z",
"structure_string": "Ba6 Br4 O4\n1.0\n0.000000 7.471254 -0.028817\n8.215894 0.000000 0.000000\n0.000000 -3.224382 -7.065624\nBa Br O\n6 4 4\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.405759 0.879085 0.769095 Ba\n0.594241 0.379085 0.730905 Ba\n0.405759 0.620915 0.269095 Ba\n0.594241 0.120915 0.230905 Ba\n0.185127 0.346404 0.926190 Br\n0.185127 0.153596 0.426190 Br\n0.814872 0.846404 0.573810 Br\n0.814872 0.653596 0.073810 Br\n0.341341 0.612496 0.567277 O\n0.658659 0.112497 0.932723 O\n0.341341 0.887503 0.067277 O\n0.658659 0.387503 0.432723 O\n",
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"created_at": "2022-09-04T14:38:01.656536Z",
"updated_at": "2022-09-04T14:38:01.656557Z",
"structure_string": "In2 Sn2 Cl6\n1.0\n-7.024037 -0.000039 3.949242\n-4.622267 6.600626 0.000024\n-6.440260 0.408792 -3.233481\nIn Sn Cl\n2 2 6\ndirect\n0.892817 0.892816 0.321552 In\n0.107184 0.107185 0.678449 In\n0.649961 0.649960 0.050120 Sn\n0.350039 0.350040 0.949881 Sn\n0.503587 0.734354 0.744184 Cl\n0.017874 0.503588 0.744184 Cl\n0.734354 0.017875 0.744183 Cl\n0.496413 0.265646 0.255818 Cl\n0.265645 0.982125 0.255817 Cl\n0.982124 0.496413 0.255819 Cl\n",
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{
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"created_at": "2022-09-04T14:36:13.772981Z",
"updated_at": "2022-09-04T14:36:13.773002Z",
"structure_string": "Cu2 Sn1 Hg1 Te4\n1.0\n6.314310 -0.000000 0.000000\n-0.000000 6.314310 0.000000\n-3.157156 -3.157156 6.226754\nCu Sn Hg Te\n2 1 1 4\ndirect\n0.749999 0.249999 0.500000 Cu\n0.249999 0.749999 0.500000 Cu\n0.500000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.891083 0.891083 0.286079 Te\n0.394997 0.394997 0.286079 Te\n0.108916 0.605002 0.713920 Te\n0.605002 0.108916 0.713920 Te\n",
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"structure_string": "Pm1 Dy3\n1.0\n-2.496099 2.496099 4.980732\n2.496099 -2.496099 4.980732\n2.496099 2.496099 -4.980732\nPm Dy\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.750002 0.250001 0.500001 Dy\n0.250001 0.750002 0.500001 Dy\n0.500000 0.500000 0.000000 Dy\n",
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"created_at": "2022-09-04T14:38:33.656616Z",
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"structure_string": "Nd6 Te8\n1.0\n7.791277 0.000000 -2.754632\n-3.895639 6.747444 -2.754632\n-0.000000 -0.000000 8.263898\nNd Te\n6 8\ndirect\n0.750000 0.874999 0.125000 Nd\n0.625000 0.375000 0.250000 Nd\n0.875000 0.125000 0.750001 Nd\n0.125000 0.750000 0.875000 Nd\n0.375000 0.250000 0.625000 Nd\n0.250000 0.625000 0.375000 Nd\n0.649296 0.649295 0.649296 Te\n0.350704 0.500000 0.000000 Te\n0.500000 0.000000 0.350705 Te\n-0.000000 0.350704 0.500000 Te\n0.500000 0.000000 0.850705 Te\n-0.000000 0.850704 0.500000 Te\n0.149296 0.149296 0.149296 Te\n0.850704 0.500000 0.000000 Te\n",
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{
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"created_at": "2022-09-04T14:36:00.184863Z",
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"structure_string": "Hg2 Br2\n1.0\n4.362957 0.000000 -1.686279\n-0.651746 4.314003 -1.686279\n0.030526 0.035484 6.566321\nHg Br\n2 2\ndirect\n0.884542 0.884540 0.769083 Hg\n0.115459 0.115458 0.230916 Hg\n0.654194 0.654194 0.308389 Br\n0.345806 0.345805 0.691610 Br\n",
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