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{
"id": "jvasp-9469",
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"structure_string": "Ba2 Y1 Tl1 V2 O7\n1.0\n3.923462 -0.013822 -0.001472\n0.013844 3.926082 -0.003315\n0.004017 0.011612 12.843108\nBa Y Tl V O\n2 1 1 2 7\ndirect\n0.499971 0.486606 0.191957 Ba\n0.499979 0.486531 0.808067 Ba\n0.500095 0.477507 0.500000 Y\n-0.000179 0.047050 0.000012 Tl\n0.000066 -0.022026 0.367203 V\n0.000078 -0.022065 0.632795 V\n-0.000008 -0.023794 0.221257 O\n0.500068 -0.024196 0.388223 O\n0.000080 0.477075 0.388181 O\n0.000107 0.477020 0.611805 O\n0.499670 0.688393 0.000004 O\n0.500066 -0.024231 0.611767 O\n0.000006 -0.023871 0.778736 O\n",
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"structure_string": "Zn1 Co4 O8\n1.0\n2.769834 -0.000024 0.568134\n1.257071 6.155371 0.907972\n-0.005535 0.548893 7.061999\nZn Co O\n1 4 8\ndirect\n0.423652 0.052851 0.100289 Zn\n0.624992 0.180011 0.570108 Co\n0.143699 0.510719 0.202009 Co\n0.831599 0.484714 0.852202 Co\n0.352067 0.804372 0.491580 Co\n0.876207 0.641160 0.606525 O\n0.451690 0.288716 0.808035 O\n0.526333 0.698850 0.248591 O\n0.098258 0.350412 0.453166 O\n0.165545 -0.005907 0.674935 O\n0.777882 0.332237 0.112144 O\n0.817387 0.993939 0.371328 O\n0.208172 0.644035 0.939730 O\n",
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{
"id": "jvasp-9472",
"created_at": "2022-09-04T14:38:31.158004Z",
"updated_at": "2022-09-04T14:38:31.158023Z",
"structure_string": "Mg2 Co3 O8\n1.0\n4.582426 0.028027 -1.379225\n-0.829371 4.929253 -2.655389\n-0.023505 -0.145851 5.768946\nMg Co O\n2 3 8\ndirect\n0.654177 0.725032 0.450063 Mg\n0.345824 0.274969 0.549938 Mg\n0.500001 0.999999 -0.000001 Co\n1.000000 0.740869 -0.000001 Co\n1.000000 0.259132 -0.000000 Co\n0.071074 0.395061 0.790123 O\n0.928928 0.604938 0.209877 O\n0.087880 0.895797 0.791596 O\n0.912122 0.104202 0.208403 O\n0.399868 0.338894 0.224542 O\n0.399868 0.885648 0.224542 O\n0.600135 0.114352 0.775459 O\n0.600135 0.661106 0.775458 O\n",
"nsites": 13,
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"elements": [
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"density": 4.5724515436954505,
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"volume": 128.34306634151628,
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{
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"created_at": "2022-09-04T14:36:19.552153Z",
"updated_at": "2022-09-04T14:36:19.552176Z",
"structure_string": "Ca1 Mg6 C1\n1.0\n10.003841 2.496855 0.000000\n-2.839580 4.918297 0.000000\n0.000000 0.000000 3.476441\nCa Mg C\n1 6 1\ndirect\n0.076301 0.288150 0.250000 Ca\n0.577785 0.284353 0.250000 Mg\n0.577785 0.793432 0.250000 Mg\n0.334986 0.149304 0.750000 Mg\n0.334986 0.685685 0.750000 Mg\n0.795891 0.147947 0.750000 Mg\n0.906474 0.703238 0.750000 Mg\n0.395793 0.947898 0.250000 C\n",
"nsites": 8,
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"density": 1.679404472200331,
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"volume": 195.6954020314658,
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"formula_full": "Ca1 Mg6 C1",
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{
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"created_at": "2022-09-04T14:36:21.081782Z",
"updated_at": "2022-09-04T14:36:21.081796Z",
"structure_string": "Ca1 Mg6 V1\n1.0\n6.399337 0.085590 0.000000\n-3.125545 5.584783 0.000000\n0.000000 0.000000 5.058087\nCa Mg V\n1 6 1\ndirect\n0.161972 0.338028 0.250000 Ca\n0.181723 0.862629 0.250000 Mg\n0.637371 0.318277 0.250000 Mg\n0.665832 0.834168 0.250000 Mg\n0.344983 0.677961 0.750001 Mg\n0.822039 0.155017 0.750001 Mg\n0.842284 0.657716 0.750001 Mg\n0.343798 0.156202 0.750001 V\n",
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{
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"created_at": "2022-09-04T14:35:41.445406Z",
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"structure_string": "Li1 Ca1 Mg6\n1.0\n6.708491 0.147425 0.000000\n-3.226572 5.588586 0.000000\n0.000000 0.000000 5.194372\nLi Ca Mg\n1 1 6\ndirect\n0.182400 0.841200 0.250000 Li\n0.147372 0.323686 0.250000 Ca\n0.650698 0.324785 0.250000 Mg\n0.650698 0.825914 0.250000 Mg\n0.345213 0.167908 0.750000 Mg\n0.345213 0.677307 0.750000 Mg\n0.818230 0.159116 0.750000 Mg\n0.860179 0.680091 0.750000 Mg\n",
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{
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"created_at": "2022-09-04T14:35:43.584720Z",
"updated_at": "2022-09-04T14:35:43.584740Z",
"structure_string": "Ca1 Mg6 V1\n1.0\n6.705870 -1.796059 0.000000\n-4.908367 8.501539 0.000000\n0.000000 0.000000 3.862926\nCa Mg V\n1 6 1\ndirect\n0.249970 0.374984 0.250000 Ca\n0.750081 0.375049 0.250000 Mg\n0.750080 0.875032 0.250000 Mg\n0.250056 0.099333 0.750001 Mg\n0.250056 0.650724 0.750001 Mg\n0.698535 0.099267 0.750001 Mg\n0.801336 0.650669 0.750001 Mg\n0.249884 0.874941 0.250000 V\n",
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{
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"created_at": "2022-09-04T14:35:46.498717Z",
"updated_at": "2022-09-04T14:35:46.498738Z",
"structure_string": "Ca1 Mg6 Sn1\n1.0\n6.725296 -0.070992 0.000000\n-3.424129 5.788782 0.000000\n0.000000 0.000000 5.102224\nCa Mg Sn\n1 6 1\ndirect\n0.180054 0.319946 0.250000 Ca\n0.164607 0.815259 0.250000 Mg\n0.684741 0.335394 0.250000 Mg\n0.659833 0.840167 0.250000 Mg\n0.332338 0.681999 0.749999 Mg\n0.818001 0.167662 0.749999 Mg\n0.820587 0.679413 0.749999 Mg\n0.339843 0.160157 0.749999 Sn\n",
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{
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"structure_string": "Ca1 Mg6 Ti1\n1.0\n6.240971 -1.670677 0.000000\n-4.567333 7.910852 0.000000\n0.000000 0.000000 4.484952\nCa Mg Ti\n1 6 1\ndirect\n0.250044 0.375021 0.250000 Ca\n0.749969 0.374961 0.250000 Mg\n0.749969 0.875008 0.250000 Mg\n0.249968 0.107013 0.750000 Mg\n0.249968 0.642955 0.750000 Mg\n0.714084 0.107042 0.750000 Mg\n0.785994 0.642996 0.750000 Mg\n0.250004 0.875001 0.250000 Ti\n",
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{
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"structure_string": "Mg6 Al1 Ga1\n1.0\n6.172841 -0.025162 0.000000\n-3.108212 5.333254 0.000000\n0.000000 0.000000 5.131996\nMg Al Ga\n6 1 1\ndirect\n0.165814 0.841956 0.250000 Mg\n0.658043 0.334186 0.250000 Mg\n0.665456 0.834544 0.250000 Mg\n0.334623 0.658324 0.750001 Mg\n0.841676 0.165377 0.750001 Mg\n0.834604 0.665396 0.750001 Mg\n0.161371 0.338629 0.250000 Al\n0.338412 0.161588 0.750001 Ga\n",
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"structure_string": "Mg6 Nb1 Al1\n1.0\n6.257645 0.164594 0.000000\n-2.986279 5.172388 0.000000\n0.000000 0.000000 4.952821\nMg Nb Al\n6 1 1\ndirect\n0.656366 0.328572 0.250000 Mg\n0.656366 0.827795 0.250000 Mg\n0.335325 0.158641 0.750000 Mg\n0.335325 0.676684 0.750000 Mg\n0.851435 0.175718 0.750000 Mg\n0.849579 0.674790 0.750000 Mg\n0.152396 0.826199 0.250000 Nb\n0.163208 0.331602 0.250000 Al\n",
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