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{
"id": "jvasp-116320",
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"updated_at": "2022-09-04T14:38:42.484288Z",
"structure_string": "Mg1 Te1 O1\n1.0\n3.217206 -0.000000 -0.000000\n-0.000000 3.217206 -0.000000\n0.000000 0.000000 7.014346\nMg Te O\n1 1 1\ndirect\n0.000000 0.000000 0.440243 Mg\n0.000000 0.000000 -0.021477 Te\n0.000000 0.000000 0.705687 O\n",
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{
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"structure_string": "Mg4 Sn2\n1.0\n5.103401 -0.000000 2.946451\n1.701134 4.811535 2.946451\n-0.000000 -0.000000 5.892901\nMg Sn\n4 2\ndirect\n0.500000 0.000000 0.500000 Mg\n-0.000001 0.500000 0.500000 Mg\n0.499999 0.500000 0.500000 Mg\n0.499999 0.500000 -0.000000 Mg\n0.874999 0.875001 0.875000 Sn\n0.125000 0.125000 0.125000 Sn\n",
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{
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{
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"updated_at": "2022-09-04T14:35:59.799121Z",
"structure_string": "Li5 Fe7 O3 F13\n1.0\n6.055639 0.115214 0.018189\n-2.926141 5.237106 -0.003743\n-2.979342 -1.790494 9.711324\nLi Fe O F\n5 7 3 13\ndirect\n0.474777 0.731807 0.258415 Li\n0.870398 0.179251 0.566153 Li\n0.095355 0.806726 0.436507 Li\n0.030174 0.768166 0.745514 Li\n0.123759 0.319442 0.930186 Li\n0.932414 0.697367 0.075173 Fe\n0.515439 0.020403 0.013363 Fe\n0.958704 0.247887 0.245402 Fe\n0.512934 0.240885 0.241746 Fe\n0.482627 0.491867 0.521723 Fe\n0.491277 0.281994 0.732806 Fe\n0.487649 0.711007 0.731259 Fe\n0.229603 0.368375 0.621029 O\n0.299059 0.893566 0.133325 O\n0.742522 0.379154 0.121583 O\n0.732487 0.093068 0.374156 F\n0.750427 0.871082 0.133263 F\n0.235248 0.610601 0.372216 F\n0.237850 0.367972 0.133575 F\n0.238533 0.134578 0.368526 F\n0.700459 0.592207 0.375056 F\n0.770132 0.868799 0.631448 F\n0.786811 0.647641 0.866934 F\n0.772481 0.397811 0.632824 F\n0.264968 0.126136 0.868896 F\n0.265244 0.887102 0.630387 F\n0.722699 0.111057 0.865720 F\n0.275981 0.654061 0.872816 F\n",
"nsites": 28,
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"density": 3.84012898993408,
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"volume": 311.59896092171437,
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"formula_full": "Li5 Fe7 O3 F13",
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{
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"created_at": "2022-09-04T14:36:17.241578Z",
"updated_at": "2022-09-04T14:36:17.241607Z",
"structure_string": "Na1 V1 O3\n1.0\n3.749813 -0.000000 0.000000\n0.000000 3.749813 0.000000\n-0.000000 -0.000000 3.749813\nNa V O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
"id": "jvasp-16911",
"created_at": "2022-09-04T14:36:53.408116Z",
"updated_at": "2022-09-04T14:36:53.408135Z",
"structure_string": "Co2 O4\n1.0\n1.443132 -2.499579 0.000000\n1.443132 2.499579 0.000000\n-0.000000 0.000000 10.901251\nCo O\n2 4\ndirect\n0.666666 0.333332 0.250000 Co\n0.333332 0.666666 0.750000 Co\n0.333332 0.666666 0.604428 O\n0.666666 0.333332 0.104428 O\n0.333332 0.666666 0.895572 O\n0.666666 0.333332 0.395572 O\n",
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"spacegroup": 194
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{
"id": "jvasp-9335",
"created_at": "2022-09-04T14:38:09.907801Z",
"updated_at": "2022-09-04T14:38:09.907820Z",
"structure_string": "Mg1 Fe4 S8\n1.0\n6.771532 -0.017941 -0.012687\n3.370228 5.837404 0.000000\n3.370228 1.945801 5.503559\nMg Fe S\n1 4 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.499999 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.257333 0.261621 0.261621 S\n0.257333 0.261621 0.719425 S\n0.257334 0.719424 0.261621 S\n0.726071 0.257976 0.257976 S\n0.273929 0.742023 0.742024 S\n0.742667 0.738378 0.280575 S\n0.742667 0.280575 0.738379 S\n0.742667 0.738378 0.738379 S\n",
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"volume": 218.044776267492,
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"formula_full": "Mg1 Fe4 S8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 166
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{
"id": "jvasp-74423",
"created_at": "2022-09-04T14:35:43.139593Z",
"updated_at": "2022-09-04T14:35:43.139611Z",
"structure_string": "Sr2 Zr1 Be1\n1.0\n5.690901 0.000000 0.000000\n0.000000 5.690901 0.000000\n-0.000000 -0.000000 3.678479\nSr Zr Be\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.500000 Be\n",
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},
{
"id": "jvasp-21355",
"created_at": "2022-09-04T14:37:16.148310Z",
"updated_at": "2022-09-04T14:37:16.148331Z",
"structure_string": "Zn2 Cr2 Si4 O12\n1.0\n5.175558 0.165729 1.245156\n1.517016 6.669912 0.445026\n0.196918 -0.215300 6.848503\nZn Cr Si O\n2 2 4 12\ndirect\n0.750001 0.240430 0.759570 Zn\n0.250002 0.759570 0.240432 Zn\n0.249999 0.100834 0.899166 Cr\n0.750000 0.899168 0.100834 Cr\n0.233205 0.218062 0.387400 Si\n0.266795 0.612600 0.781938 Si\n0.733205 0.387400 0.218063 Si\n0.766796 0.781938 0.612600 Si\n0.646537 0.966228 0.787302 O\n0.853465 0.212698 0.033772 O\n0.622967 0.615338 0.145036 O\n0.877034 0.854966 0.384663 O\n0.377034 0.384661 0.854965 O\n0.020840 0.619033 0.675167 O\n0.979161 0.380967 0.324834 O\n0.520841 0.675167 0.619035 O\n0.353464 0.033772 0.212699 O\n0.479162 0.324834 0.380966 O\n0.122967 0.145034 0.615338 O\n0.146537 0.787302 0.966228 O\n",
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{
"id": "jvasp-21194",
"created_at": "2022-09-04T14:38:01.808389Z",
"updated_at": "2022-09-04T14:38:01.808416Z",
"structure_string": "Ba1\n1.0\n4.013664 -0.000000 -1.419044\n-2.006832 3.475935 -1.419044\n-0.000000 -0.000000 4.257134\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
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{
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{
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"structure_string": "Co2 O4\n1.0\n2.886696 0.000000 0.000000\n-1.443348 2.499952 -0.000000\n0.000000 0.000000 10.899663\nCo O\n2 4\ndirect\n0.666668 0.333333 0.750000 Co\n0.333333 0.666666 0.250000 Co\n0.333333 0.666666 0.395592 O\n0.666668 0.333333 0.895592 O\n0.333333 0.666666 0.104407 O\n0.666668 0.333333 0.604407 O\n",
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}