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{
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"spacegroup": 123
},
{
"id": "mp-34210",
"created_at": "2022-09-04T14:46:07.801092Z",
"structure_string": "Al4 Zn2 O8\n1.0\n-2.855159 2.916751 4.113595\n2.855159 -2.916751 4.113595\n2.855159 2.916751 -4.113595\nAl Zn O\n4 2 8\ndirect\n0.885312 0.135312 0.750000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.114688 0.864688 0.250000 Al\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.263486 0.268033 0.995454 O\n0.757318 0.272424 0.015106 O\n0.772579 0.268033 0.504546 O\n0.757318 0.742213 0.484894 O\n0.242682 0.257787 0.515106 O\n0.227421 0.731967 0.495454 O\n0.242682 0.727576 0.984894 O\n0.736514 0.731967 0.004546 O\n",
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"elements": [
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},
{
"id": "mp-1036235",
"created_at": "2022-09-04T14:47:07.536912Z",
"structure_string": "Mg14 Mn1 Co1 O16\n1.0\n8.540437 0.000000 0.000000\n0.000000 8.540437 0.000000\n0.000000 0.000000 4.294044\nMg Mn Co O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.252271 0.000000 0.500000 Mg\n0.747729 0.000000 0.500000 Mg\n0.252076 0.500000 0.500000 Mg\n0.747924 0.500000 0.500000 Mg\n0.000000 0.252271 0.500000 Mg\n0.500000 0.252076 0.500000 Mg\n0.000000 0.747729 0.500000 Mg\n0.500000 0.747924 0.500000 Mg\n0.250795 0.250795 0.000000 Mg\n0.749205 0.250795 0.000000 Mg\n0.250795 0.749205 0.000000 Mg\n0.749205 0.749205 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.000000 0.257509 0.000000 O\n0.500000 0.249825 0.000000 O\n0.000000 0.742491 0.000000 O\n0.500000 0.750175 0.000000 O\n0.249634 0.249634 0.500000 O\n0.750366 0.249634 0.500000 O\n0.249634 0.750366 0.500000 O\n0.750366 0.750366 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.257509 0.000000 0.000000 O\n0.742491 0.000000 0.000000 O\n0.249825 0.500000 0.000000 O\n0.750175 0.500000 0.000000 O\n",
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{
"id": "mp-765565",
"created_at": "2022-09-04T14:42:01.278386Z",
"structure_string": "Li6 Ti2 Mn6 O16\n1.0\n5.036032 3.022199 0.000000\n-5.036032 3.022199 0.000000\n0.000000 0.768401 9.646180\nLi Ti Mn O\n6 2 6 16\ndirect\n0.352153 0.167405 0.551582 Li\n0.828922 0.651597 0.562291 Li\n0.828239 0.175990 0.558415 Li\n0.175990 0.828239 0.058415 Li\n0.167405 0.352153 0.051582 Li\n0.651597 0.828922 0.062291 Li\n0.644993 0.325325 0.002398 Ti\n0.325325 0.644993 0.502398 Ti\n0.339574 0.169517 0.281223 Mn\n0.831497 0.658707 0.287225 Mn\n0.831520 0.163810 0.287053 Mn\n0.163810 0.831520 0.787053 Mn\n0.169517 0.339574 0.781223 Mn\n0.658707 0.831497 0.787225 Mn\n0.975790 0.987142 0.175552 O\n0.987142 0.975790 0.675552 O\n0.338134 0.193154 0.908542 O\n0.493825 0.468715 0.149840 O\n0.500689 0.035935 0.148367 O\n0.692976 0.337675 0.403606 O\n0.832711 0.683334 0.910057 O\n0.954021 0.479433 0.158023 O\n0.199028 0.851419 0.410963 O\n0.851419 0.199028 0.910963 O\n0.035935 0.500689 0.648367 O\n0.337675 0.692976 0.903606 O\n0.479433 0.954021 0.658023 O\n0.193154 0.338134 0.408542 O\n0.468715 0.493825 0.649840 O\n0.683334 0.832711 0.410057 O\n",
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"formula_full": "Li6 Ti2 Mn6 O16",
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{
"id": "mp-1308819",
"created_at": "2022-09-04T14:44:18.660987Z",
"structure_string": "Li3 Cr2 Co2 O8\n1.0\n-2.966549 2.961702 -4.078736\n2.999206 3.032297 4.081698\n5.989154 0.060950 -0.019355\nLi Cr Co O\n3 2 2 8\ndirect\n0.500099 0.000062 0.500012 Li\n0.500014 0.499957 0.000118 Li\n0.000161 0.500050 0.500064 Li\n0.999764 0.000070 0.999795 Cr\n0.999915 0.500068 0.999670 Cr\n0.000069 0.000065 0.500019 Co\n0.499960 0.999827 0.000225 Co\n0.765097 0.240021 0.247543 O\n0.235063 0.759945 0.752532 O\n0.239844 0.214018 0.775886 O\n0.760172 0.785848 0.224215 O\n0.218238 0.226054 0.229694 O\n0.225222 0.758899 0.217442 O\n0.774688 0.241188 0.782515 O\n0.781696 0.773928 0.770269 O\n",
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{
"id": "mp-1038365",
"created_at": "2022-09-04T14:48:17.367638Z",
"structure_string": "Mg30 Mn1 Al1 O32\n1.0\n8.558390 0.000000 0.000000\n0.000000 8.558390 0.000000\n0.000000 0.000000 8.551878\nMg Mn Al O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250049 0.250049 0.000000 Mg\n0.749951 0.250049 0.000000 Mg\n0.250049 0.749951 0.000000 Mg\n0.749951 0.749951 0.000000 Mg\n0.250613 0.250613 0.500000 Mg\n0.749387 0.250613 0.500000 Mg\n0.250613 0.749387 0.500000 Mg\n0.749387 0.749387 0.500000 Mg\n0.250802 0.000000 0.250556 Mg\n0.749198 0.000000 0.250556 Mg\n0.249383 0.500000 0.251325 Mg\n0.750617 0.500000 0.251325 Mg\n0.250802 0.000000 0.749444 Mg\n0.749198 0.000000 0.749444 Mg\n0.249383 0.500000 0.748675 Mg\n0.750617 0.500000 0.748675 Mg\n0.000000 0.250802 0.250556 Mg\n0.500000 0.249383 0.251325 Mg\n0.000000 0.749198 0.250556 Mg\n0.500000 0.750617 0.251325 Mg\n0.000000 0.250802 0.749444 Mg\n0.500000 0.249383 0.748675 Mg\n0.000000 0.749198 0.749444 Mg\n0.500000 0.750617 0.748675 Mg\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.235255 O\n0.500000 0.000000 0.248821 O\n0.000000 0.500000 0.248821 O\n0.500000 0.500000 0.256292 O\n0.000000 0.000000 0.764745 O\n0.500000 0.000000 0.751179 O\n0.000000 0.500000 0.751179 O\n0.500000 0.500000 0.743708 O\n0.250085 0.250085 0.249124 O\n0.749915 0.250085 0.249124 O\n0.250085 0.749915 0.249124 O\n0.749915 0.749915 0.249124 O\n0.250085 0.250085 0.750876 O\n0.749915 0.250085 0.750876 O\n0.250085 0.749915 0.750876 O\n0.749915 0.749915 0.750876 O\n0.233343 0.000000 0.000000 O\n0.766657 0.000000 0.000000 O\n0.239844 0.500000 0.000000 O\n0.760156 0.500000 0.000000 O\n0.247378 0.000000 0.500000 O\n0.752622 0.000000 0.500000 O\n0.248454 0.500000 0.500000 O\n0.751546 0.500000 0.500000 O\n0.000000 0.233343 0.000000 O\n0.500000 0.239844 0.000000 O\n0.000000 0.766657 0.000000 O\n0.500000 0.760156 0.000000 O\n0.000000 0.247378 0.500000 O\n0.500000 0.248454 0.500000 O\n0.000000 0.752622 0.500000 O\n0.500000 0.751546 0.500000 O\n",
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{
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"structure_string": "Li3 Co4 Sn1 O8\n1.0\n3.032107 5.193004 0.000000\n-3.032107 5.193004 0.000000\n0.000000 3.518600 4.972671\nLi Co Sn O\n3 4 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Sn\n0.255298 0.255298 0.262151 O\n0.253363 0.740198 0.760126 O\n0.740198 0.253363 0.760126 O\n0.750393 0.750393 0.266036 O\n0.249607 0.249607 0.733964 O\n0.259802 0.746637 0.239874 O\n0.746637 0.259802 0.239874 O\n0.744702 0.744702 0.737849 O\n",
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{
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{
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{
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"elements": [
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],
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"formula_full": "Mn4 Cr2 N6",
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{
"id": "mp-1038484",
"created_at": "2022-09-04T14:42:40.867900Z",
"structure_string": "Mg30 Cd1 C1 O32\n1.0\n8.555300 0.000000 0.000000\n0.000000 8.555300 0.000000\n0.000000 0.000000 8.557358\nMg Cd C O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253793 0.253793 0.000000 Mg\n0.253793 0.746207 0.000000 Mg\n0.746207 0.253793 0.000000 Mg\n0.746207 0.746207 0.000000 Mg\n0.250097 0.250097 0.500000 Mg\n0.250097 0.749903 0.500000 Mg\n0.749903 0.250097 0.500000 Mg\n0.749903 0.749903 0.500000 Mg\n0.000000 0.252230 0.251896 Mg\n0.000000 0.747770 0.251896 Mg\n0.500000 0.251599 0.248270 Mg\n0.500000 0.748401 0.248270 Mg\n0.000000 0.252230 0.748104 Mg\n0.000000 0.747770 0.748104 Mg\n0.500000 0.251599 0.751730 Mg\n0.500000 0.748401 0.751730 Mg\n0.252230 0.000000 0.251896 Mg\n0.251599 0.500000 0.248270 Mg\n0.747770 0.000000 0.251896 Mg\n0.748401 0.500000 0.248270 Mg\n0.252230 0.000000 0.748104 Mg\n0.251599 0.500000 0.751730 Mg\n0.747770 0.000000 0.748104 Mg\n0.748401 0.500000 0.751730 Mg\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.263846 O\n0.000000 0.500000 0.251180 O\n0.500000 0.000000 0.251180 O\n0.500000 0.500000 0.251951 O\n0.000000 0.000000 0.736154 O\n0.000000 0.500000 0.748820 O\n0.500000 0.000000 0.748820 O\n0.500000 0.500000 0.748049 O\n0.249897 0.249897 0.249147 O\n0.249897 0.750103 0.249147 O\n0.750103 0.249897 0.249147 O\n0.750103 0.750103 0.249147 O\n0.249897 0.249897 0.750853 O\n0.249897 0.750103 0.750853 O\n0.750103 0.249897 0.750853 O\n0.750103 0.750103 0.750853 O\n0.000000 0.264147 0.000000 O\n0.000000 0.735853 0.000000 O\n0.500000 0.249857 0.000000 O\n0.500000 0.750143 0.000000 O\n0.000000 0.251638 0.500000 O\n0.000000 0.748362 0.500000 O\n0.500000 0.250779 0.500000 O\n0.500000 0.749221 0.500000 O\n0.264147 0.000000 0.000000 O\n0.249857 0.500000 0.000000 O\n0.735853 0.000000 0.000000 O\n0.750143 0.500000 0.000000 O\n0.251638 0.000000 0.500000 O\n0.250779 0.500000 0.500000 O\n0.748362 0.000000 0.500000 O\n0.749221 0.500000 0.500000 O\n",
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"volume": 626.3400569267263,
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"spacegroup": 123
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{
"id": "mp-1311133",
"created_at": "2022-09-04T14:45:10.387510Z",
"structure_string": "Co4 Cu3 O12\n1.0\n-2.928351 5.121902 -2.011844\n2.872535 5.118623 2.080130\n5.859406 -0.046135 -2.127521\nCo Cu O\n4 3 12\ndirect\n0.000050 0.499968 0.000076 Co\n0.000101 0.999969 0.500029 Co\n0.499928 0.499995 0.499963 Co\n0.499958 0.000033 0.999872 Co\n0.500230 0.999877 0.500097 Cu\n0.999865 0.500161 0.500029 Cu\n0.499955 0.499926 0.000099 Cu\n0.179238 0.137067 0.673640 O\n0.820649 0.863120 0.326284 O\n0.182531 0.501238 0.319538 O\n0.314087 0.183480 0.134287 O\n0.863854 0.294890 0.192421 O\n0.503151 0.331726 0.804436 O\n0.691493 0.171917 0.524879 O\n0.136270 0.704956 0.807551 O\n0.817301 0.498894 0.680501 O\n0.685982 0.816464 0.865721 O\n0.496850 0.668224 0.195562 O\n0.308508 0.828094 0.475015 O\n",
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"density": 5.522184266869717,
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}