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{
"id": "jvasp-10567",
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"updated_at": "2022-09-04T14:37:15.570543Z",
"structure_string": "Ba2 Ho4 Pd2 O10\n1.0\n6.520855 0.000000 0.000000\n-0.000000 6.520855 0.000000\n-0.000000 -0.000000 5.886200\nBa Ho Pd O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.826861 0.673138 0.500000 Ho\n0.673138 0.173138 0.500000 Ho\n0.326862 0.826861 0.500000 Ho\n0.173138 0.326862 0.500000 Ho\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.640681 0.859318 0.739371 O\n0.140681 0.640681 0.739371 O\n0.640681 0.859318 0.260629 O\n0.359319 0.140681 0.260629 O\n0.500000 0.500000 0.500000 O\n0.140681 0.640681 0.260629 O\n0.000000 0.000000 0.500000 O\n0.859318 0.359319 0.739371 O\n0.859318 0.359319 0.260629 O\n0.359319 0.140681 0.739371 O\n",
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{
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"structure_string": "Bi4 Te3\n1.0\n4.465191 0.007913 13.755545\n2.183262 3.895043 13.755545\n0.013480 0.007913 14.462114\nBi Te\n4 3\ndirect\n0.286168 0.286167 0.286168 Bi\n0.713833 0.713830 0.713833 Bi\n0.147082 0.147082 0.147082 Bi\n0.852919 0.852916 0.852919 Bi\n0.000000 0.000000 0.000000 Te\n0.579288 0.579286 0.579288 Te\n0.420713 0.420712 0.420713 Te\n",
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{
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"structure_string": "Ga4 Te4\n1.0\n2.061807 -3.571154 0.000000\n2.061807 3.571154 0.000000\n0.000000 0.000000 16.998045\nGa Te\n4 4\ndirect\n0.333334 0.666668 0.177729 Ga\n0.666668 0.333334 0.677729 Ga\n0.666668 0.333334 0.822271 Ga\n0.333334 0.666668 0.322271 Ga\n0.333334 0.666668 0.897381 Te\n0.666668 0.333334 0.397381 Te\n0.666668 0.333334 0.102618 Te\n0.333334 0.666668 0.602618 Te\n",
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{
"id": "jvasp-12806",
"created_at": "2022-09-04T14:38:11.594008Z",
"updated_at": "2022-09-04T14:38:11.594034Z",
"structure_string": "Na8 B4 O10\n1.0\n5.993600 0.026774 1.744174\n1.389515 6.266186 1.855726\n0.013151 0.023448 6.681230\nNa B O\n8 4 10\ndirect\n0.921906 0.403252 0.330705 Na\n0.078095 0.596748 0.669295 Na\n0.421906 0.330705 0.403252 Na\n0.271338 0.684606 0.032678 Na\n0.228664 0.967322 0.315394 Na\n0.728663 0.315394 0.967322 Na\n0.771337 0.032678 0.684606 Na\n0.578095 0.669295 0.596748 Na\n0.832950 0.928981 0.253765 B\n0.332949 0.253766 0.928981 B\n0.167050 0.071019 0.746235 B\n0.667051 0.746235 0.071019 B\n0.716195 0.685351 0.881519 O\n0.039330 0.257763 0.651866 O\n0.283805 0.314650 0.118481 O\n0.960670 0.742237 0.348133 O\n0.539331 0.651867 0.257763 O\n0.460670 0.348134 0.742237 O\n0.750001 0.927374 0.072626 O\n0.250000 0.072627 0.927373 O\n0.783805 0.118481 0.314649 O\n0.216195 0.881519 0.685351 O\n",
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{
"id": "jvasp-111666",
"created_at": "2022-09-04T14:38:41.358845Z",
"updated_at": "2022-09-04T14:38:41.358875Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n5.849353 -0.016197 -0.676875\n-2.407680 5.567999 -2.294757\n0.008976 0.022888 7.683891\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.341472 0.711609 0.239495 K\n0.658528 0.288391 0.760506 K\n0.000000 0.000000 0.000000 Mg\n0.325141 0.661574 0.759155 Mo\n0.674859 0.338426 0.240845 Mo\n0.926090 0.863693 0.297022 H\n0.073910 0.136307 0.702978 H\n0.127378 0.131503 0.390950 H\n0.872622 0.868497 0.609050 H\n0.903958 0.298680 0.111869 O\n0.096042 0.701320 0.888131 O\n0.380844 0.230450 0.071552 O\n0.619156 0.769550 0.928448 O\n0.350963 0.812167 0.608902 O\n0.237979 0.347506 0.622232 O\n0.649037 0.187833 0.391098 O\n0.052477 0.983731 0.267314 O\n0.762021 0.652494 0.377768 O\n0.947523 0.016269 0.732686 O\n",
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{
"id": "jvasp-40906",
"created_at": "2022-09-04T14:37:38.250882Z",
"updated_at": "2022-09-04T14:37:38.250908Z",
"structure_string": "Li4 Cu4 F14\n1.0\n7.074620 0.000000 -0.000000\n-3.537310 6.126801 -0.000000\n3.537310 -2.042266 5.776403\nLi Cu F\n4 4 14\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 -0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.920193 0.579806 0.329807 F\n0.670193 0.420193 0.670193 F\n0.329807 0.170193 0.920193 F\n0.625000 0.874999 0.625000 F\n0.670193 0.420193 0.079807 F\n0.329807 0.579806 0.920193 F\n0.079807 0.420193 0.670193 F\n0.670193 0.829807 0.079807 F\n0.329807 0.579806 0.329807 F\n0.920193 0.170193 0.329807 F\n0.079807 0.829806 0.670193 F\n0.079807 0.829807 0.079807 F\n0.375000 0.125000 0.375000 F\n0.920193 0.170193 0.920193 F\n",
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"volume": 250.37696858214406,
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"formula_full": "Li4 Cu4 F14",
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{
"id": "jvasp-89079",
"created_at": "2022-09-04T14:36:17.220171Z",
"updated_at": "2022-09-04T14:36:17.220195Z",
"structure_string": "Cu4 Te4 O12\n1.0\n5.741871 -0.000000 0.000000\n0.000000 6.039846 0.000000\n0.000000 0.000000 7.220247\nCu Te O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.003169 0.010690 0.750000 Te\n0.496830 0.510690 0.750000 Te\n0.996830 0.989311 0.250000 Te\n0.503169 0.489311 0.250000 Te\n0.338735 0.951426 0.750000 O\n0.838735 0.548575 0.250000 O\n0.406884 0.698710 0.442365 O\n0.406884 0.698710 0.057635 O\n0.906884 0.801291 0.942365 O\n0.093116 0.198710 0.442365 O\n0.593116 0.301290 0.557636 O\n0.593116 0.301290 0.942365 O\n0.093116 0.198710 0.057635 O\n0.906884 0.801291 0.557636 O\n0.661264 0.048575 0.250000 O\n0.161264 0.451426 0.750000 O\n",
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"volume": 250.3982857573707,
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"formula_full": "Cu4 Te4 O12",
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"spacegroup": 62
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{
"id": "jvasp-50207",
"created_at": "2022-09-04T14:36:49.159190Z",
"updated_at": "2022-09-04T14:36:49.159221Z",
"structure_string": "Dy4 Te2 O12\n1.0\n0.000000 4.979333 -0.000016\n10.099157 0.000000 0.000000\n0.000000 -0.000032 -4.979441\nDy Te O\n4 2 12\ndirect\n0.000000 0.665505 0.000000 Dy\n0.000000 0.334496 0.000000 Dy\n0.500000 0.834496 0.500000 Dy\n0.500000 0.165505 0.500000 Dy\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.778196 0.500000 0.778055 O\n0.278112 0.000000 0.721875 O\n0.316739 0.354083 0.683376 O\n0.316739 0.645917 0.683376 O\n0.683261 0.354083 0.316624 O\n0.221804 0.500000 0.221946 O\n0.721888 0.000000 0.278126 O\n0.816678 0.854083 0.816683 O\n0.183322 0.145918 0.183317 O\n0.183322 0.854083 0.183317 O\n0.683261 0.645917 0.316624 O\n0.816678 0.145918 0.816683 O\n",
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{
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"updated_at": "2022-09-04T14:37:49.235826Z",
"structure_string": "Yb2 Co12 P7\n1.0\n4.511471 -7.814098 0.000000\n4.511471 7.814098 -0.000000\n-0.000000 0.000000 3.551541\nYb Co P\n2 12 7\ndirect\n0.666667 0.333333 0.500000 Yb\n0.333333 0.666667 0.000000 Yb\n0.865139 0.758335 0.500000 Co\n0.622833 0.563371 0.000000 Co\n0.563205 0.945738 0.500000 Co\n0.436628 0.059461 0.000000 Co\n0.119561 0.847350 0.000000 Co\n0.054262 0.617468 0.500000 Co\n0.152650 0.272211 0.000000 Co\n0.893195 0.134860 0.500000 Co\n0.241665 0.106804 0.500000 Co\n0.940539 0.377167 0.000000 Co\n0.727789 0.880439 0.000000 Co\n0.382532 0.436795 0.500000 Co\n0.111174 0.403007 0.500000 P\n0.405647 0.291965 0.000000 P\n0.291833 0.888826 0.500000 P\n0.708035 0.113682 0.000000 P\n0.596993 0.708166 0.500000 P\n0.886318 0.594353 0.000000 P\n0.000000 0.000000 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:36:18.591938Z",
"updated_at": "2022-09-04T14:36:18.591962Z",
"structure_string": "Ba4 Hf1 Hg1\n1.0\n-0.000000 5.002784 5.002784\n5.002784 0.000000 5.002784\n5.002784 5.002784 -0.000000\nBa Hf Hg\n4 1 1\ndirect\n0.125101 0.624966 0.624966 Ba\n0.624966 0.624966 0.624966 Ba\n0.624966 0.125101 0.624966 Ba\n0.624966 0.624966 0.125101 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Hg\n",
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{
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"created_at": "2022-09-04T14:38:08.544561Z",
"updated_at": "2022-09-04T14:38:08.544597Z",
"structure_string": "Ba4 Sn1 Pb1\n1.0\n-0.000000 5.002887 5.002887\n5.002887 0.000000 5.002887\n5.002887 5.002887 0.000000\nBa Sn Pb\n4 1 1\ndirect\n0.124428 0.625192 0.625192 Ba\n0.625192 0.625192 0.625192 Ba\n0.625192 0.124428 0.625192 Ba\n0.625192 0.625192 0.124428 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pb\n",
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{
"id": "jvasp-112437",
"created_at": "2022-09-04T14:38:41.244906Z",
"updated_at": "2022-09-04T14:38:41.244923Z",
"structure_string": "Li4 Mn4 Sn2 O12\n1.0\n5.243717 0.019892 0.000008\n-2.309402 4.707838 -0.000010\n-0.000024 0.000020 10.125854\nLi Mn Sn O\n4 4 2 12\ndirect\n0.102411 0.602410 0.750000 Li\n0.397592 0.897590 0.250000 Li\n0.602410 0.102408 0.750000 Li\n0.897590 0.397590 0.250001 Li\n0.337506 0.662498 -0.000001 Mn\n0.837503 0.162494 0.500000 Mn\n0.162497 0.837505 0.499999 Mn\n0.662495 0.337504 0.000002 Mn\n-0.000002 -0.000002 0.000001 Sn\n0.500003 0.500000 0.500000 Sn\n0.560050 0.196015 0.386328 O\n0.303986 0.939950 0.886328 O\n0.439952 0.803984 0.613672 O\n0.196016 0.560049 0.386327 O\n0.939953 0.303985 0.886327 O\n0.158834 0.158833 0.592397 O\n0.841167 0.841166 0.407603 O\n0.658835 0.658835 0.907603 O\n0.341168 0.341167 0.092398 O\n0.803985 0.439949 0.613673 O\n0.060050 0.696016 0.113673 O\n0.696017 0.060051 0.113672 O\n",
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]
}