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{
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{
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"structure_string": "Li4 Mn4 V4 O16\n1.0\n0.000012 0.000182 4.999373\n6.276529 0.000028 0.000015\n0.000049 10.795463 0.000392\nLi Mn V O\n4 4 4 16\ndirect\n0.999998 0.000009 0.000003 Li\n0.500005 0.000002 0.500000 Li\n0.999998 0.499993 0.000003 Li\n0.500004 0.500000 0.500001 Li\n0.515456 0.250010 0.773308 Mn\n0.484499 0.749976 0.226694 Mn\n0.984619 0.250002 0.273280 Mn\n0.015395 0.750005 0.726721 Mn\n0.075246 0.250002 0.590951 V\n0.924755 0.750002 0.409046 V\n0.424744 0.249995 0.090874 V\n0.575262 0.750002 0.909124 V\n0.211662 0.250002 0.442787 O\n0.288326 0.250000 0.942709 O\n0.788343 0.750001 0.557212 O\n0.711665 0.749998 0.057298 O\n0.773120 0.250001 0.094116 O\n0.726858 0.250002 0.594152 O\n0.273143 0.750000 0.405850 O\n0.226880 0.750000 0.905882 O\n0.277276 0.030051 0.164901 O\n0.222738 0.030064 0.664958 O\n0.277265 0.469939 0.164898 O\n0.222735 0.469939 0.664959 O\n0.722739 0.530048 0.835096 O\n0.777266 0.530062 0.335040 O\n0.777267 0.969940 0.335040 O\n0.722735 0.969959 0.835097 O\n",
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{
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"volume": 290.6189811397748,
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"formula_full": "Y4 Sn4 O14",
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"formula_anonymous": "A2B2C7",
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"spacegroup": 227
},
{
"id": "mp-15541",
"created_at": "2022-09-04T14:43:35.162217Z",
"structure_string": "K2 Na4 Si24 B6 O60\n1.0\n5.187169 -8.984439 0.000000\n5.187169 8.984439 0.000000\n0.000000 0.000000 13.687200\nK Na Si B O\n2 4 24 6 60\ndirect\n0.000000 0.000000 0.750000 K\n0.000000 0.000000 0.250000 K\n0.666667 0.333333 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.750000 Na\n0.333333 0.666667 0.250000 Na\n0.269209 0.337812 0.387039 Si\n0.068603 0.730791 0.612961 Si\n0.269209 0.337812 0.612961 Si\n0.730791 0.068603 0.887039 Si\n0.337812 0.269209 0.887039 Si\n0.662188 0.730791 0.887039 Si\n0.269209 0.931397 0.887039 Si\n0.931397 0.662188 0.887039 Si\n0.068603 0.730791 0.387039 Si\n0.068603 0.337812 0.887039 Si\n0.662188 0.931397 0.387039 Si\n0.662188 0.931397 0.612961 Si\n0.931397 0.662188 0.112961 Si\n0.931397 0.269209 0.387039 Si\n0.730791 0.662188 0.387039 Si\n0.269209 0.931397 0.112961 Si\n0.662188 0.730791 0.112961 Si\n0.337812 0.269209 0.112961 Si\n0.730791 0.068603 0.112961 Si\n0.068603 0.337812 0.112961 Si\n0.337812 0.068603 0.612961 Si\n0.730791 0.662188 0.612961 Si\n0.931397 0.269209 0.612961 Si\n0.337812 0.068603 0.387039 Si\n0.000000 0.500000 0.250000 B\n0.500000 0.500000 0.750000 B\n0.500000 0.000000 0.750000 B\n0.000000 0.500000 0.750000 B\n0.500000 0.500000 0.250000 B\n0.500000 0.000000 0.250000 B\n0.189032 0.282225 0.132072 O\n0.099773 0.628963 0.687817 O\n0.099773 0.470811 0.812183 O\n0.529189 0.900227 0.687817 O\n0.470811 0.099773 0.687817 O\n0.628963 0.529189 0.687817 O\n0.371037 0.470811 0.687817 O\n0.628963 0.099773 0.812183 O\n0.470811 0.371037 0.812183 O\n0.529189 0.628963 0.812183 O\n0.371037 0.900227 0.812183 O\n0.900227 0.529189 0.812183 O\n0.099773 0.628963 0.312183 O\n0.371037 0.470811 0.312183 O\n0.529189 0.900227 0.312183 O\n0.470811 0.099773 0.312183 O\n0.900227 0.529189 0.187817 O\n0.900227 0.371037 0.312183 O\n0.628963 0.529189 0.312183 O\n0.371037 0.900227 0.187817 O\n0.529189 0.628963 0.187817 O\n0.470811 0.371037 0.187817 O\n0.628963 0.099773 0.187817 O\n0.093193 0.282225 0.632072 O\n0.810968 0.093193 0.632072 O\n0.906807 0.717775 0.632072 O\n0.282225 0.189032 0.632072 O\n0.717775 0.810968 0.632072 O\n0.189032 0.282225 0.867928 O\n0.189032 0.906807 0.632072 O\n0.082263 0.394198 0.000000 O\n0.688065 0.082263 0.000000 O\n0.394198 0.311935 0.000000 O\n0.605802 0.688065 0.000000 O\n0.311935 0.917737 0.000000 O\n0.688065 0.605802 0.500000 O\n0.917737 0.311935 0.500000 O\n0.917737 0.605802 0.000000 O\n0.394198 0.082263 0.500000 O\n0.605802 0.917737 0.500000 O\n0.311935 0.394198 0.500000 O\n0.082263 0.688065 0.500000 O\n0.900227 0.371037 0.687817 O\n0.906807 0.189032 0.132072 O\n0.282225 0.093193 0.132072 O\n0.717775 0.906807 0.132072 O\n0.093193 0.810968 0.132072 O\n0.906807 0.717775 0.367928 O\n0.810968 0.093193 0.367928 O\n0.810968 0.717775 0.132072 O\n0.282225 0.189032 0.367928 O\n0.717775 0.810968 0.367928 O\n0.093193 0.282225 0.367928 O\n0.189032 0.906807 0.367928 O\n0.810968 0.717775 0.867928 O\n0.093193 0.810968 0.867928 O\n0.717775 0.906807 0.867928 O\n0.282225 0.093193 0.867928 O\n0.906807 0.189032 0.867928 O\n0.099773 0.470811 0.187817 O\n",
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],
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"density": 2.4327707339349747,
"density_atomic": 0.07524978475144839,
"volume": 1275.7511575227757,
"volume_molar": 8.002867755557382,
"formula_full": "K2 Na4 Si24 B6 O60",
"formula_reduced": "KNa2Si12(BO10)3",
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"spacegroup": 192
},
{
"id": "mp-1519331",
"created_at": "2022-09-04T14:46:58.592879Z",
"structure_string": "Sr1 Ce1 Eu1 Sb1 O6\n1.0\n-0.000000 -4.285171 -4.285171\n4.285171 -0.000000 -4.285171\n4.285171 -4.285171 -0.000000\nSr Ce Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n-0.000000 -0.000000 -0.000000 Ce\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Sb\n0.733823 0.266177 0.266177 O\n0.266177 0.733823 0.733823 O\n0.733823 0.266177 0.733823 O\n0.266177 0.733823 0.266177 O\n0.733823 0.733823 0.266177 O\n0.266177 0.266177 0.733823 O\n",
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],
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"density": 6.304067403802493,
"density_atomic": 0.06354268073677997,
"volume": 157.37453761864612,
"volume_molar": 9.477316175794021,
"formula_full": "Sr1 Ce1 Eu1 Sb1 O6",
"formula_reduced": "SrCeEuSbO6",
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"energy": -80.66623738000001,
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"spacegroup": 216
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{
"id": "mp-20139",
"created_at": "2022-09-04T14:40:37.349977Z",
"structure_string": "Mn3 Ge1\n1.0\n3.651498 0.000000 0.000000\n0.000000 3.651498 0.000000\n0.000000 0.000000 3.651498\nMn Ge\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "mp-1208928",
"created_at": "2022-09-04T14:39:21.760163Z",
"structure_string": "Sm4 Co2 Ru2 O12\n1.0\n5.809515 0.000000 0.000000\n0.000000 5.395172 0.000000\n0.000000 5.367017 7.744285\nSm Co Ru O\n4 2 2 12\ndirect\n0.071085 0.728371 0.750705 Sm\n0.928915 0.271629 0.249295 Sm\n0.571085 0.271629 0.749295 Sm\n0.428915 0.728371 0.250705 Sm\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.462159 0.859079 0.748535 O\n0.537841 0.140921 0.251465 O\n0.962159 0.140921 0.751465 O\n0.037841 0.859079 0.248535 O\n0.308007 0.642432 0.550534 O\n0.691993 0.357568 0.449466 O\n0.808007 0.357568 0.949466 O\n0.191993 0.642432 0.050534 O\n0.796303 0.756903 0.557109 O\n0.203697 0.243097 0.442891 O\n0.296303 0.243097 0.942891 O\n0.703697 0.756903 0.057109 O\n",
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"volume": 242.73170098108406,
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{
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"structure_string": "Cr8 P8 O36\n1.0\n6.354749 0.000024 0.000034\n0.000033 7.756273 -0.002524\n-0.000002 -0.004944 13.778097\nCr P O\n8 8 36\ndirect\n0.750005 0.348536 0.881720 Cr\n0.249987 0.651425 0.118325 Cr\n0.249978 0.848863 0.618346 Cr\n0.750004 0.151173 0.381751 Cr\n0.499988 0.000038 0.000030 Cr\n0.500058 0.499988 0.499989 Cr\n0.999971 0.500026 0.499993 Cr\n0.999969 0.000067 0.000021 Cr\n0.249974 0.347557 0.937875 P\n0.750017 0.652434 0.062126 P\n0.750008 0.847666 0.562084 P\n0.249996 0.152384 0.437879 P\n0.750000 0.393406 0.692181 P\n0.749995 0.106614 0.192272 P\n0.250010 0.893302 0.807737 P\n0.250027 0.606534 0.307795 P\n0.050394 0.594760 0.371040 O\n0.550407 0.405207 0.628938 O\n0.949574 0.094861 0.129053 O\n0.449526 0.905114 0.871032 O\n0.949604 0.405177 0.628925 O\n0.449629 0.594719 0.371035 O\n0.050460 0.905093 0.871028 O\n0.550431 0.094889 0.129057 O\n0.250021 0.338301 0.485996 O\n0.749996 0.661753 0.513993 O\n0.749993 0.838239 0.014009 O\n0.249964 0.161810 0.986054 O\n0.749990 0.145336 0.951624 O\n0.250005 0.854715 0.048465 O\n0.250019 0.645359 0.548300 O\n0.750017 0.354647 0.451622 O\n0.749982 0.226259 0.755783 O\n0.250015 0.773725 0.244210 O\n0.250006 0.726123 0.743921 O\n0.750013 0.273693 0.256055 O\n0.445958 0.139016 0.375192 O\n0.945925 0.861052 0.624739 O\n0.554068 0.639294 0.124796 O\n0.054084 0.360724 0.875183 O\n0.554050 0.861058 0.624742 O\n0.054080 0.139034 0.375198 O\n0.445905 0.360719 0.875188 O\n0.945914 0.639295 0.124808 O\n0.750000 0.515417 0.981211 O\n0.250007 0.030196 0.725060 O\n0.249986 0.469766 0.224938 O\n0.750005 0.530162 0.775020 O\n0.749997 0.984500 0.481128 O\n0.250001 0.015563 0.518842 O\n0.249980 0.484606 0.018753 O\n0.750024 0.969803 0.274932 O\n",
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"formula_full": "Cr8 P8 O36",
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{
"id": "mp-1208627",
"created_at": "2022-09-04T14:41:06.303115Z",
"structure_string": "Sr1 Ho2 Al2 O7\n1.0\n-1.861640 1.861640 9.765323\n1.861640 -1.861640 9.765323\n1.861640 1.861640 -9.765323\nSr Ho Al O\n1 2 2 7\ndirect\n0.500000 0.500000 0.000000 Sr\n0.317803 0.317803 0.000000 Ho\n0.682197 0.682197 0.000000 Ho\n0.097541 0.097541 0.000000 Al\n0.902459 0.902459 0.000000 Al\n0.606803 0.106803 0.500000 O\n0.393197 0.893197 0.500000 O\n0.106803 0.606803 0.500000 O\n0.893197 0.393197 0.500000 O\n0.000000 0.000000 0.000000 O\n0.205573 0.205573 0.000000 O\n0.794427 0.794427 0.000000 O\n",
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"formula_full": "Sr1 Ho2 Al2 O7",
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{
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