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{
"id": "mp-1402218",
"created_at": "2022-09-04T14:42:14.809158Z",
"structure_string": "Li5 Ni3 O5 F3\n1.0\n5.599384 0.000000 0.000000\n-0.036088 5.756131 0.000000\n-2.750934 -2.887854 4.459830\nLi Ni O F\n5 3 5 3\ndirect\n0.501069 0.000316 0.501651 Li\n0.996552 0.005846 0.003114 Li\n0.997800 0.485750 0.012233 Li\n0.990318 0.010199 0.479853 Li\n0.508640 0.492332 0.004048 Li\n0.506503 0.005628 0.001405 Ni\n0.519184 0.484839 0.534418 Ni\n0.000149 0.500929 0.499033 Ni\n0.747959 0.254312 0.993904 O\n0.261940 0.258989 0.536413 O\n0.758632 0.285064 0.502887 O\n0.243027 0.715631 0.496950 O\n0.734892 0.741458 0.459507 O\n0.278591 0.223293 0.066697 F\n0.722826 0.776186 0.936462 F\n0.231917 0.759231 0.971426 F\n",
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{
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"volume": 344.87542785045076,
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"formula_full": "Sr2 Ca6 Mn4 O16",
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"energy": -207.40581318,
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"spacegroup": 99
},
{
"id": "mp-735715",
"created_at": "2022-09-04T14:42:14.829202Z",
"structure_string": "Yb4 V16 O32\n1.0\n9.171252 0.000000 0.000000\n0.000000 5.877405 0.000000\n0.000000 2.864881 10.793255\nYb V O\n4 16 32\ndirect\n0.743422 0.795474 0.156871 Yb\n0.256578 0.204526 0.843129 Yb\n0.243422 0.204526 0.343129 Yb\n0.756578 0.795474 0.656871 Yb\n0.073691 0.816940 0.117640 V\n0.926309 0.183060 0.882360 V\n0.573691 0.183060 0.382360 V\n0.426309 0.816940 0.617640 V\n0.090858 0.572277 0.601140 V\n0.909142 0.427723 0.398860 V\n0.590858 0.427723 0.898860 V\n0.409142 0.572277 0.101140 V\n0.047474 0.315245 0.111688 V\n0.952526 0.684755 0.888312 V\n0.547474 0.684755 0.388312 V\n0.452526 0.315245 0.611688 V\n0.079328 0.078894 0.603615 V\n0.920672 0.921106 0.396385 V\n0.579328 0.921106 0.896385 V\n0.420672 0.078894 0.103615 V\n0.299892 0.526448 0.653259 O\n0.700108 0.473552 0.346741 O\n0.799892 0.473552 0.846741 O\n0.200108 0.526448 0.153259 O\n0.389152 0.371146 0.977966 O\n0.610848 0.628854 0.022034 O\n0.889152 0.628854 0.522034 O\n0.110848 0.371146 0.477966 O\n0.964934 0.744747 0.278097 O\n0.035066 0.255253 0.721903 O\n0.464934 0.255253 0.221903 O\n0.535066 0.744747 0.778097 O\n0.078961 0.410276 0.928926 O\n0.921039 0.589724 0.071074 O\n0.578961 0.589724 0.571074 O\n0.421039 0.410276 0.428926 O\n0.291863 0.068898 0.648864 O\n0.708137 0.931102 0.351136 O\n0.791863 0.931102 0.851136 O\n0.208137 0.068898 0.148864 O\n0.381704 0.898144 0.979617 O\n0.618296 0.101856 0.020383 O\n0.881704 0.101856 0.520383 O\n0.118296 0.898144 0.479617 O\n0.982205 0.222957 0.286684 O\n0.017795 0.777043 0.713316 O\n0.482205 0.777043 0.213316 O\n0.517795 0.222957 0.786684 O\n0.080109 0.908472 0.928863 O\n0.919891 0.091528 0.071137 O\n0.580109 0.091528 0.571137 O\n0.419891 0.908472 0.428863 O\n",
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"formula_full": "Yb4 V16 O32",
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"updated_at": "2021-11-28T01:35:38.232000Z",
"spacegroup": 14
},
{
"id": "mp-1221618",
"created_at": "2022-09-04T14:42:14.833085Z",
"structure_string": "Mn1 Be4 Al1\n1.0\n0.000000 3.036510 3.036510\n3.036510 0.000000 3.036510\n3.036510 3.036510 0.000000\nMn Be Al\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.626583 0.626583 0.120251 Be\n0.626583 0.120251 0.626583 Be\n0.120251 0.626583 0.626583 Be\n0.626583 0.626583 0.626583 Be\n0.250000 0.250000 0.250000 Al\n",
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"volume": 55.9956309760069,
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"formula_full": "Mn1 Be4 Al1",
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"formula_anonymous": "ABC4",
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},
{
"id": "mp-1178001",
"created_at": "2022-09-04T14:42:14.843929Z",
"structure_string": "Li8 Cr4 O8\n1.0\n3.680173 2.955556 0.000055\n0.000006 -2.955383 9.778357\n3.680173 -2.955557 -0.000050\nLi Cr O\n8 4 8\ndirect\n0.608442 0.216885 0.891559 Li\n0.108439 0.216879 0.391562 Li\n0.858438 0.716878 0.141561 Li\n0.358441 0.716884 0.641559 Li\n0.641558 0.283115 0.358442 Li\n0.141561 0.283121 0.858439 Li\n0.891559 0.783115 0.608443 Li\n0.391562 0.783122 0.108439 Li\n0.500013 0.000001 0.500014 Cr\n0.749979 0.499999 0.749977 Cr\n0.000018 0.000001 0.000021 Cr\n0.249984 0.500000 0.249980 Cr\n0.427498 0.354975 0.072502 O\n0.927484 0.354976 0.572512 O\n0.677488 0.854978 0.322516 O\n0.177499 0.854979 0.822502 O\n0.822503 0.145025 0.177499 O\n0.322517 0.145024 0.677489 O\n0.072502 0.645022 0.427499 O\n0.572513 0.645022 0.927484 O\n",
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{
"id": "mp-1100894",
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"structure_string": "Y2 Th8 O19\n1.0\n3.781982 0.000000 0.000000\n0.000000 4.052278 0.000000\n0.000000 0.000000 27.521479\nY Th O\n2 8 19\ndirect\n0.000000 0.500000 0.005410 Y\n0.500000 0.000000 0.895320 Y\n0.000000 0.500000 0.801194 Th\n0.500000 0.000000 0.701103 Th\n0.000000 0.500000 0.600243 Th\n0.500000 0.000000 0.499910 Th\n0.000000 0.500000 0.399579 Th\n0.500000 0.000000 0.299024 Th\n0.000000 0.500000 0.198629 Th\n0.500000 0.000000 0.095955 Th\n0.000000 0.000000 0.751427 O\n0.500000 0.500000 0.649555 O\n0.000000 0.000000 0.549560 O\n0.500000 0.500000 0.449171 O\n0.000000 0.000000 0.348562 O\n0.500000 0.500000 0.248733 O\n0.000000 0.000000 0.145062 O\n0.500000 0.500000 0.049918 O\n0.500000 0.500000 0.150809 O\n0.000000 0.000000 0.043842 O\n0.500000 0.500000 0.953384 O\n0.500000 0.500000 0.848987 O\n0.000000 0.000000 0.857524 O\n0.500000 0.500000 0.751679 O\n0.000000 0.000000 0.652660 O\n0.500000 0.500000 0.551587 O\n0.000000 0.000000 0.451339 O\n0.500000 0.500000 0.351134 O\n0.000000 0.000000 0.250145 O\n",
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{
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"structure_string": "Nd16 O24\n1.0\n-5.590539 5.590539 5.590539\n5.590539 -5.590539 5.590539\n5.590539 5.590539 -5.590539\nNd O\n16 24\ndirect\n0.719223 0.469223 0.250000 Nd\n0.750000 0.780777 0.030777 Nd\n0.030777 0.750000 0.780777 Nd\n0.250000 0.719223 0.469223 Nd\n0.469223 0.250000 0.719223 Nd\n0.780777 0.030777 0.750000 Nd\n0.280777 0.530777 0.750000 Nd\n0.250000 0.219223 0.969223 Nd\n0.969223 0.250000 0.219223 Nd\n0.750000 0.280777 0.530777 Nd\n0.530777 0.750000 0.280777 Nd\n0.219223 0.969223 0.250000 Nd\n0.500000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.488002 0.758985 0.028166 O\n0.269181 0.741015 0.229017 O\n0.011998 0.040164 0.270983 O\n0.459836 0.471834 0.230819 O\n0.471834 0.230819 0.459836 O\n0.028166 0.488002 0.758985 O\n0.741015 0.229017 0.269181 O\n0.270983 0.011998 0.040164 O\n0.758985 0.028166 0.488002 O\n0.229017 0.269181 0.741015 O\n0.040164 0.270983 0.011998 O\n0.230819 0.459836 0.471834 O\n0.511998 0.241015 0.971834 O\n0.730819 0.258985 0.770983 O\n0.988002 0.959836 0.729017 O\n0.540164 0.528166 0.769181 O\n0.769181 0.540164 0.528166 O\n0.959836 0.729017 0.988002 O\n0.770983 0.730819 0.258985 O\n0.241015 0.971834 0.511998 O\n0.729017 0.988002 0.959836 O\n0.258985 0.770983 0.730819 O\n0.971834 0.511998 0.241015 O\n0.528166 0.769181 0.540164 O\n",
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{
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"created_at": "2022-09-04T14:42:14.822837Z",
"structure_string": "Rb8 In8 Se16\n1.0\n5.878470 5.880975 0.000000\n-5.878470 5.880975 0.000000\n0.000000 2.927688 16.315115\nRb In Se\n8 8 16\ndirect\n0.847794 0.222201 0.609998 Rb\n0.221462 0.346289 0.113885 Rb\n0.346289 0.221462 0.613885 Rb\n0.778538 0.653711 0.886115 Rb\n0.222201 0.847794 0.109998 Rb\n0.152206 0.777799 0.390002 Rb\n0.777799 0.152206 0.890002 Rb\n0.653711 0.778538 0.386115 Rb\n0.709982 0.086498 0.160231 In\n0.913502 0.290018 0.339769 In\n0.290018 0.913502 0.839769 In\n0.086498 0.709982 0.660231 In\n0.416481 0.290154 0.339469 In\n0.709846 0.583519 0.160531 In\n0.583519 0.709846 0.660531 In\n0.290154 0.416481 0.839469 In\n0.576183 0.423817 0.750000 Se\n0.423817 0.576183 0.250000 Se\n0.048951 0.951049 0.750000 Se\n0.951049 0.048951 0.250000 Se\n0.048746 0.423920 0.749909 Se\n0.576080 0.951254 0.750091 Se\n0.951254 0.576080 0.250091 Se\n0.423920 0.048746 0.249909 Se\n0.859441 0.734908 0.561395 Se\n0.265092 0.140559 0.938605 Se\n0.140559 0.265092 0.438605 Se\n0.639796 0.265245 0.439433 Se\n0.265245 0.639796 0.939433 Se\n0.360204 0.734755 0.560567 Se\n0.734755 0.360204 0.060567 Se\n0.734908 0.859441 0.061395 Se\n",
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{
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