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{
"id": "jvasp-104561",
"created_at": "2022-09-04T14:36:42.110324Z",
"updated_at": "2022-09-04T14:36:42.110350Z",
"structure_string": "Dy5 Mg1\n1.0\n5.370669 0.001387 3.710108\n1.947054 5.005304 3.710108\n0.002027 0.001387 6.527556\nDy Mg\n5 1\ndirect\n0.500000 0.158421 0.841579 Dy\n0.158421 0.841579 0.500001 Dy\n0.841579 0.500000 0.158421 Dy\n0.333279 0.333279 0.333279 Dy\n0.666721 0.666721 0.666722 Dy\n0.000000 0.000000 0.000000 Mg\n",
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{
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"structure_string": "Al4 Te6\n1.0\n6.595401 -0.031823 3.268138\n2.540539 6.086541 3.268138\n-0.038154 -0.025286 8.063951\nAl Te\n4 6\ndirect\n0.177205 0.987160 0.496954 Al\n0.808733 0.676904 0.504297 Al\n0.987161 0.177205 0.996953 Al\n0.676904 0.808733 0.004297 Al\n0.301405 0.140263 0.111317 Te\n0.987292 0.773748 0.118257 Te\n0.615821 0.448065 0.144128 Te\n0.140264 0.301405 0.611317 Te\n0.773748 0.987292 0.618257 Te\n0.448065 0.615821 0.644128 Te\n",
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{
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"created_at": "2022-09-04T14:36:43.170068Z",
"updated_at": "2022-09-04T14:36:43.170086Z",
"structure_string": "Ga4 S4\n1.0\n1.810385 -3.135678 0.000000\n1.810385 3.135678 0.000000\n0.000000 0.000000 15.583635\nGa S\n4 4\ndirect\n0.333332 0.666666 0.671205 Ga\n0.666666 0.333332 0.171205 Ga\n0.666666 0.333332 0.328794 Ga\n0.333332 0.666666 0.828794 Ga\n0.333332 0.666666 0.101617 S\n0.666666 0.333332 0.601617 S\n0.666666 0.333332 0.898382 S\n0.333332 0.666666 0.398383 S\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-100604",
"created_at": "2022-09-04T14:36:43.199555Z",
"updated_at": "2022-09-04T14:36:43.199591Z",
"structure_string": "In3 Ga1\n1.0\n4.339519 0.081275 -3.647864\n-0.890571 4.247931 -3.647864\n-0.064749 -0.081275 5.668698\nIn Ga\n3 1\ndirect\n0.750000 0.250000 0.500001 In\n0.250000 0.750000 0.500001 In\n0.500000 0.499999 0.000000 In\n0.000000 0.000000 0.000000 Ga\n",
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{
"id": "jvasp-43546",
"created_at": "2022-09-04T14:35:56.396754Z",
"updated_at": "2022-09-04T14:35:56.396775Z",
"structure_string": "Ti8 O12\n1.0\n5.108921 -0.000702 0.000129\n-2.553575 4.425214 0.000302\n-0.000504 -0.001197 9.655532\nTi O\n8 12\ndirect\n0.333337 0.666738 0.023254 Ti\n0.333366 0.666617 0.750000 Ti\n0.000006 0.999992 0.999998 Ti\n0.000008 0.000004 0.500002 Ti\n0.333287 0.666719 0.476746 Ti\n0.666652 0.333382 0.250000 Ti\n0.666685 0.333245 0.976743 Ti\n0.666735 0.333299 0.523257 Ti\n0.975035 0.652458 0.117952 O\n0.024934 0.677373 0.617965 O\n0.677387 0.024936 0.117971 O\n0.652458 0.975025 0.617967 O\n0.975085 0.322641 0.382039 O\n0.677403 0.652495 0.382083 O\n0.347522 0.322614 0.117919 O\n0.322616 0.347515 0.617917 O\n0.322632 0.975053 0.882029 O\n0.652496 0.677368 0.882076 O\n0.024984 0.347526 0.882044 O\n0.347560 0.024990 0.382037 O\n",
"nsites": 20,
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"formula_full": "Ti8 O12",
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{
"id": "jvasp-56823",
"created_at": "2022-09-04T14:36:43.342360Z",
"updated_at": "2022-09-04T14:36:43.342381Z",
"structure_string": "Ba1 Sn2\n1.0\n2.379145 -4.120800 0.000000\n2.379145 4.120800 0.000000\n-0.000000 -0.000000 5.520920\nBa Sn\n1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666666 0.333332 0.106479 Sn\n0.333332 0.666666 0.893521 Sn\n",
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{
"id": "jvasp-36396",
"created_at": "2022-09-04T14:36:43.343183Z",
"updated_at": "2022-09-04T14:36:43.343203Z",
"structure_string": "Ca2 Pb1\n1.0\n3.777171 3.777171 -0.000000\n3.777171 -0.000000 -3.777171\n0.000000 3.777171 -3.777171\nCa Pb\n2 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Pb\n",
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"volume": 107.77795416662354,
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"spacegroup": 225
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{
"id": "jvasp-18782",
"created_at": "2022-09-04T14:35:56.535201Z",
"updated_at": "2022-09-04T14:35:56.535237Z",
"structure_string": "Ti1 Pt8\n1.0\n3.741793 -0.000000 1.240480\n1.870897 5.957107 0.620240\n-0.003676 0.000000 6.274717\nTi Pt\n1 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.661599 0.676801 0.000000 Pt\n0.338400 0.323199 0.000000 Pt\n0.661598 -0.000000 0.676801 Pt\n0.328809 0.671191 0.671191 Pt\n-0.000001 0.328810 0.671191 Pt\n0.000000 0.671191 0.328810 Pt\n0.671190 0.328810 0.328810 Pt\n0.338400 -0.000000 0.323199 Pt\n",
"nsites": 9,
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"elements": [
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"density": 19.09356615728467,
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"volume": 139.89224577780763,
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"formula_full": "Ti1 Pt8",
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"spacegroup": 139
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{
"id": "jvasp-14097",
"created_at": "2022-09-04T14:36:43.402426Z",
"updated_at": "2022-09-04T14:36:43.402451Z",
"structure_string": "Er1 Si2\n1.0\n2.058036 -3.564624 0.000000\n2.058036 3.564624 0.000000\n-0.000000 0.000000 3.874904\nEr Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.666668 0.333334 0.499999 Si\n0.333334 0.666668 0.499999 Si\n",
"nsites": 3,
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{
"id": "jvasp-98681",
"created_at": "2022-09-04T14:35:45.095496Z",
"updated_at": "2022-09-04T14:35:45.095520Z",
"structure_string": "P4 Pd24\n1.0\n5.725170 -0.023249 0.000000\n-2.867537 7.807206 0.000000\n0.000000 0.000000 9.634771\nP Pd\n4 24\ndirect\n0.123031 0.749121 0.759918 P\n0.876969 0.750880 0.259918 P\n0.876969 0.250879 0.240082 P\n0.123031 0.249121 0.740082 P\n0.957443 0.934593 0.865069 Pd\n0.042557 0.565407 0.365069 Pd\n0.380169 0.248065 0.921208 Pd\n0.619831 0.251935 0.421209 Pd\n0.619831 0.751936 0.078791 Pd\n0.380169 0.748065 0.578791 Pd\n0.134296 0.748567 0.078695 Pd\n0.865704 0.751434 0.578695 Pd\n0.865704 0.251434 0.921304 Pd\n0.134296 0.248566 0.421304 Pd\n0.289145 0.064622 0.633881 Pd\n0.710855 0.935378 0.366119 Pd\n0.957443 0.434593 0.634930 Pd\n0.289144 0.564623 0.866118 Pd\n0.227094 0.933225 0.365890 Pd\n0.772906 0.566776 0.865890 Pd\n0.772906 0.066776 0.634110 Pd\n0.227094 0.433224 0.134110 Pd\n0.471775 0.432711 0.632820 Pd\n0.528225 0.067289 0.132820 Pd\n0.528224 0.567290 0.367179 Pd\n0.471775 0.932711 0.867179 Pd\n0.710855 0.435378 0.133881 Pd\n0.042557 0.065407 0.134930 Pd\n",
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{
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"created_at": "2022-09-04T14:36:43.437866Z",
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"structure_string": "Fe2 Te2\n1.0\n3.651927 0.000000 0.000000\n-0.000000 3.651927 0.000000\n0.000000 -0.000000 6.573512\nFe Te\n2 2\ndirect\n0.250000 0.750001 -0.000000 Fe\n0.750001 0.250000 -0.000000 Fe\n0.250000 0.250000 0.279914 Te\n0.750001 0.750001 0.720086 Te\n",
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{
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"structure_string": "Na4 N4\n1.0\n-4.571299 -3.778617 0.000000\n-4.571299 3.778617 0.000000\n4.571299 0.000000 -4.682716\nNa N\n4 4\ndirect\n0.517157 0.017157 0.034315 Na\n0.982844 0.482843 0.965686 Na\n0.732844 0.732844 0.465686 Na\n0.267157 0.267157 0.534315 Na\n0.184776 0.684776 0.500000 N\n0.315224 0.815225 0.500000 N\n0.065224 0.065224 0.000000 N\n0.934776 0.934776 0.000000 N\n",
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