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{
"id": "jvasp-48903",
"created_at": "2022-09-04T14:36:12.332484Z",
"updated_at": "2022-09-04T14:36:12.332504Z",
"structure_string": "Li5 Mn1 Cr3 O8\n1.0\n-2.900396 -1.694998 -4.820333\n-5.875406 -0.018954 -0.013465\n2.900396 5.109642 0.013465\nLi Mn Cr O\n5 1 3 8\ndirect\n0.930373 0.930377 0.069625 Li\n0.999997 0.500000 0.000002 Li\n0.499998 1.000000 0.000002 Li\n0.069626 0.069624 0.930375 Li\n0.999997 1.000000 0.500001 Li\n0.500000 0.500001 0.500000 Mn\n-0.000000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.499999 0.500001 -0.000000 Cr\n0.729185 0.258464 0.741535 O\n0.744002 0.744005 0.255997 O\n0.270814 0.741537 0.258465 O\n0.741535 0.741536 0.729185 O\n0.741535 0.270815 0.258464 O\n0.258464 0.729186 0.741536 O\n0.258464 0.258465 0.270815 O\n0.255997 0.255996 0.744003 O\n",
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{
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"structure_string": "B1 H2 O2\n1.0\n2.600991 -1.687260 0.148555\n2.600991 1.687260 0.148555\n-0.270549 0.000000 5.296617\nB H O\n1 2 2\ndirect\n0.499999 0.499999 -0.000001 B\n0.544475 0.544475 0.588394 H\n0.455522 0.455522 0.411605 H\n0.649089 0.649089 0.807820 O\n0.350908 0.350908 0.192179 O\n",
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{
"id": "jvasp-46403",
"created_at": "2022-09-04T14:38:10.760045Z",
"updated_at": "2022-09-04T14:38:10.760082Z",
"structure_string": "Li1 Sb1 Te2 W1 O12\n1.0\n5.084708 0.003518 0.001537\n-0.004477 5.332048 -0.048297\n-0.021744 -0.457611 7.357129\nLi Sb Te W O\n1 1 2 1 12\ndirect\n0.998716 0.578382 0.715288 Li\n0.499301 0.500071 0.491329 Sb\n0.503904 0.507095 -0.000941 Te\n0.000447 0.003702 0.496480 Te\n0.001711 0.012926 0.004065 W\n0.694572 0.193485 0.940042 O\n0.821232 0.314707 0.569521 O\n0.193329 0.310945 0.058447 O\n0.637448 0.505743 0.241295 O\n0.364408 0.496926 0.753068 O\n0.166121 0.679261 0.443874 O\n0.875381 0.005828 0.246634 O\n0.303087 0.811583 0.057746 O\n0.112019 -0.009880 0.752415 O\n0.316804 0.173300 0.431374 O\n0.812186 0.690332 0.933859 O\n0.699338 0.811201 0.572704 O\n",
"nsites": 17,
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"elements": [
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"formula_full": "Li1 Sb1 Te2 W1 O12",
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{
"id": "jvasp-47529",
"created_at": "2022-09-04T14:35:42.521558Z",
"updated_at": "2022-09-04T14:35:42.521587Z",
"structure_string": "Mn1 Co1 O4\n1.0\n-5.197221 0.313347 0.007724\n-3.487267 2.603750 0.007651\n1.676253 2.315671 -4.351949\nMn Co O\n1 1 4\ndirect\n0.498870 0.506154 0.005024 Mn\n0.498855 0.006167 0.505022 Co\n0.193524 0.116812 0.699690 O\n0.195464 0.006135 0.201600 O\n0.802263 0.006183 0.808447 O\n0.804172 0.895518 0.310338 O\n",
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{
"id": "jvasp-70123",
"created_at": "2022-09-04T14:36:18.317760Z",
"updated_at": "2022-09-04T14:36:18.317786Z",
"structure_string": "Be2 Cr1 Fe1\n1.0\n-1.876857 1.876857 2.654567\n1.876857 -1.876857 2.654567\n1.876857 1.876857 -2.654567\nBe Cr Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Cr\n0.750001 0.250000 0.500001 Fe\n",
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{
"id": "jvasp-85936",
"created_at": "2022-09-04T14:35:44.174645Z",
"updated_at": "2022-09-04T14:35:44.174673Z",
"structure_string": "Pr5 Ru2 O12\n1.0\n6.009313 0.000000 0.000000\n-3.004657 6.149177 -1.930552\n0.000000 -0.002042 7.718568\nPr Ru O\n5 2 12\ndirect\n0.306897 0.613795 0.643176 Pr\n0.693103 0.386206 0.356825 Pr\n0.690591 0.381184 0.832724 Pr\n0.309408 0.618817 0.167277 Pr\n0.000000 0.000000 0.500000 Pr\n0.764972 0.000000 0.000000 Ru\n0.235028 0.000000 0.000000 Ru\n0.587222 0.683331 0.922020 O\n0.500124 0.000248 0.169824 O\n0.594841 0.690873 0.422605 O\n0.000889 0.001781 0.184369 O\n0.903967 0.309128 0.577396 O\n0.405159 0.309128 0.577396 O\n0.499875 0.999753 0.830177 O\n0.412777 0.316669 0.077980 O\n0.999110 0.998220 0.815632 O\n0.096032 0.690873 0.422605 O\n0.096108 0.683331 0.922020 O\n0.903891 0.316669 0.077980 O\n",
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"density_atomic": 0.06662099586759178,
"volume": 285.19537651106583,
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"formula_full": "Pr5 Ru2 O12",
"formula_reduced": "Pr5(RuO6)2",
"formula_anonymous": "A2B5C12",
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"spacegroup": 12
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{
"id": "jvasp-86535",
"created_at": "2022-09-04T14:35:49.532125Z",
"updated_at": "2022-09-04T14:35:49.532150Z",
"structure_string": "Pr5 Ru2 O12\n1.0\n6.009271 0.000000 0.000000\n-3.004635 6.149259 -1.930739\n0.000000 -0.002249 7.718655\nPr Ru O\n5 2 12\ndirect\n0.306889 0.613780 0.643176 Pr\n0.693110 0.386220 0.356825 Pr\n0.690592 0.381185 0.832724 Pr\n0.309407 0.618816 0.167277 Pr\n-0.000000 -0.000000 0.500000 Pr\n0.764973 0.000000 0.000000 Ru\n0.235027 0.000000 0.000000 Ru\n0.587229 0.683338 0.922034 O\n0.500124 0.000249 0.169825 O\n0.594840 0.690880 0.422614 O\n0.000899 0.001800 0.184372 O\n0.903959 0.309120 0.577387 O\n0.405159 0.309120 0.577387 O\n0.499875 0.999751 0.830175 O\n0.412771 0.316662 0.077967 O\n0.999100 0.998200 0.815628 O\n0.096040 0.690880 0.422614 O\n0.096108 0.683338 0.922034 O\n0.903891 0.316662 0.077967 O\n",
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"formula_full": "Pr5 Ru2 O12",
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"formula_anonymous": "A2B5C12",
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{
"id": "jvasp-111947",
"created_at": "2022-09-04T14:38:42.234906Z",
"updated_at": "2022-09-04T14:38:42.234930Z",
"structure_string": "Li3 Mn1 Co4 O8\n1.0\n5.006329 0.001055 2.938339\n1.633102 4.732474 2.938339\n-0.005596 -0.003989 5.878557\nLi Mn Co O\n3 1 4 8\ndirect\n-0.000000 0.499999 0.500001 Li\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.499999 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.737882 0.737883 0.766310 O\n0.740139 0.267232 0.762195 O\n0.267231 0.740139 0.762196 O\n0.251921 0.251922 0.753552 O\n0.748078 0.748078 0.246450 O\n0.732768 0.259861 0.237806 O\n0.259860 0.732768 0.237806 O\n0.262117 0.262117 0.233691 O\n",
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{
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"created_at": "2022-09-04T14:37:09.749404Z",
"updated_at": "2022-09-04T14:37:09.749420Z",
"structure_string": "Si2 C2\n1.0\n1.548610 -2.682271 -0.000000\n1.548610 2.682271 0.000000\n0.000000 0.000000 5.086304\nSi C\n2 2\ndirect\n0.333333 0.666667 0.499664 Si\n0.666667 0.333333 0.999663 Si\n0.333333 0.666667 0.875335 C\n0.666667 0.333333 0.375336 C\n",
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},
{
"id": "jvasp-117054",
"created_at": "2022-09-04T14:38:49.151397Z",
"updated_at": "2022-09-04T14:38:49.151418Z",
"structure_string": "Mg2 Sc1 Mo3 S8\n1.0\n6.436946 0.001930 3.553012\n2.097454 6.085862 3.552491\n0.001901 0.001891 7.352397\nMg Sc Mo S\n2 1 3 8\ndirect\n0.877087 0.877086 0.877087 Mg\n0.122914 0.122917 0.122924 Mg\n0.499987 0.499992 0.500009 Sc\n0.500007 0.500005 -0.000006 Mo\n0.000002 0.499997 0.499997 Mo\n0.500002 -0.000001 0.499999 Mo\n0.739978 0.739980 0.739960 S\n0.254492 0.254497 0.723380 S\n0.254501 0.723375 0.254506 S\n0.723375 0.254502 0.254500 S\n0.745494 0.276627 0.745491 S\n0.276627 0.745496 0.745501 S\n0.260040 0.260027 0.260024 S\n0.745498 0.745490 0.276630 S\n",
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{
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{
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}
]
}