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{
"id": "jvasp-18856",
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{
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{
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"formula_full": "Rh8 S12",
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"spacegroup": 60
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{
"id": "jvasp-49301",
"created_at": "2022-09-04T14:38:36.103842Z",
"updated_at": "2022-09-04T14:38:36.103862Z",
"structure_string": "Rh8 S12\n1.0\n6.045458 0.000000 0.000000\n0.000000 6.191825 0.000000\n0.000000 0.000000 8.556326\nRh S\n8 12\ndirect\n0.751425 0.032411 0.392995 Rh\n0.751425 0.467589 0.607006 Rh\n0.748575 0.532412 0.107006 Rh\n0.748575 0.967589 0.892995 Rh\n0.248575 0.967589 0.607006 Rh\n0.248575 0.532412 0.392995 Rh\n0.251425 0.467589 0.892995 Rh\n0.251425 0.032411 0.107006 Rh\n0.390663 0.106435 0.848420 S\n0.390663 0.393565 0.151581 S\n0.609337 0.606436 0.848420 S\n0.609337 0.893566 0.151581 S\n0.890664 0.106435 0.651581 S\n0.047629 0.750001 0.000000 S\n0.952371 0.250000 0.000000 S\n0.547630 0.750001 0.500000 S\n0.109337 0.893566 0.348420 S\n0.452371 0.250000 0.500000 S\n0.890664 0.393565 0.348420 S\n0.109337 0.606436 0.651581 S\n",
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"formula_full": "Rh8 S12",
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{
"id": "jvasp-74455",
"created_at": "2022-09-04T14:36:03.311480Z",
"updated_at": "2022-09-04T14:36:03.311505Z",
"structure_string": "Be2 Si1 Rh1\n1.0\n-1.738489 1.738489 3.587685\n1.738489 -1.738489 3.587685\n1.738489 1.738489 -3.587685\nBe Si Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500000 Be\n0.750001 0.250000 0.500000 Si\n0.500001 0.500001 0.000000 Rh\n",
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{
"id": "jvasp-9497",
"created_at": "2022-09-04T14:38:07.857023Z",
"updated_at": "2022-09-04T14:38:07.857055Z",
"structure_string": "Mn2 Zn2 Si2 O10\n1.0\n5.155341 -0.061568 -0.045824\n-1.144134 5.231379 0.008713\n-1.915281 -2.394428 6.283152\nMn Zn Si O\n2 2 2 10\ndirect\n0.004250 0.494927 0.514556 Mn\n0.004245 0.494913 0.014557 Mn\n0.304203 0.171069 0.786959 Zn\n0.704310 0.818802 0.242135 Zn\n0.688971 0.830187 0.748960 Si\n0.319528 0.159647 0.280148 Si\n0.753463 0.693477 0.934857 O\n0.942930 0.838560 0.645714 O\n0.255012 0.296339 0.094239 O\n0.065584 0.151295 0.383406 O\n0.632463 0.297950 0.469016 O\n0.319676 0.841344 0.167722 O\n0.376041 0.691898 0.560088 O\n0.688816 0.148483 0.861399 O\n0.881494 0.533289 0.247698 O\n0.127003 0.456563 0.781414 O\n",
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"volume": 168.53504593843417,
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"formula_full": "Mn2 Zn2 Si2 O10",
"formula_reduced": "MnZnSiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-101550",
"created_at": "2022-09-04T14:36:39.280861Z",
"updated_at": "2022-09-04T14:36:39.280894Z",
"structure_string": "Ce1 H3\n1.0\n3.231942 -0.225480 -2.097916\n-1.073062 3.056931 -2.097916\n0.171921 0.225480 3.849304\nCe H\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.499998 H\n0.250000 0.750000 0.499998 H\n0.500000 0.500000 -0.000001 H\n",
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{
"id": "jvasp-36595",
"created_at": "2022-09-04T14:37:10.619947Z",
"updated_at": "2022-09-04T14:37:10.619974Z",
"structure_string": "Zn1 Os1 O3\n1.0\n3.895627 -0.000000 0.000000\n-0.000000 3.895627 0.000000\n0.000000 0.000000 3.895627\nZn Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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},
{
"id": "jvasp-103457",
"created_at": "2022-09-04T14:36:42.836797Z",
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"structure_string": "Mn2 In1 Sb1 Pd4\n1.0\n4.356451 0.001097 6.558173\n1.980545 3.880220 6.558173\n0.001792 0.001097 7.873265\nMn In Sb Pd\n2 1 1 4\ndirect\n0.252464 0.252465 0.252465 Mn\n0.747533 0.747536 0.747535 Mn\n0.000000 0.000000 0.000000 In\n0.499999 0.500001 0.500000 Sb\n0.624512 0.624514 0.624513 Pd\n0.125485 0.125486 0.125485 Pd\n0.874512 0.874516 0.874514 Pd\n0.375486 0.375487 0.375486 Pd\n",
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{
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"created_at": "2022-09-04T14:36:42.805686Z",
"updated_at": "2022-09-04T14:36:42.805715Z",
"structure_string": "Th1 Si2 Ni2\n1.0\n3.826021 -0.000000 -1.502146\n-0.589762 3.780293 -1.502146\n-0.011164 -0.013040 5.595145\nTh Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630521 0.630520 0.261041 Si\n0.369480 0.369479 0.738959 Si\n0.750000 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n",
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{
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"structure_string": "Cu1 N1 O2\n1.0\n-1.693596 2.813317 2.292433\n1.693596 -2.813317 2.292433\n1.693596 2.813317 -2.292433\nCu N O\n1 1 2\ndirect\n0.041555 0.041555 -0.000000 Cu\n0.624649 0.624649 0.000000 N\n0.656685 0.466897 0.189787 O\n0.277111 0.466899 0.810215 O\n",
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{
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"structure_string": "Cr2 S4\n1.0\n3.347154 0.058193 0.028730\n1.623477 2.927652 0.028730\n-1.712902 -2.981370 10.754164\nCr S\n2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000001 0.499999 0.500000 Cr\n0.333252 0.458282 0.125031 S\n0.333253 0.958281 0.625031 S\n0.666748 0.041716 0.374969 S\n0.666749 0.541716 0.874969 S\n",
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}
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}