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{
"id": "mp-759934",
"created_at": "2022-09-04T14:42:26.222389Z",
"structure_string": "K8 Li4 Mn4 P4 C4 O28\n1.0\n0.110373 7.111280 -5.347970\n0.108005 -7.110310 -5.346761\n-9.873932 -0.001217 -5.241930\nK Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.247314 0.764529 0.737016 K\n0.747473 0.264569 0.737071 K\n0.014601 0.997070 0.736860 K\n0.514625 0.497147 0.736892 K\n0.252584 0.735492 0.262919 K\n0.752599 0.235424 0.262910 K\n0.485460 0.503016 0.263013 K\n0.985299 0.002806 0.263135 K\n0.223154 0.473156 0.995256 Li\n0.723164 0.973123 0.995292 Li\n0.276824 0.026868 0.004752 Li\n0.776863 0.526854 0.004753 Li\n0.178630 0.428467 0.625520 Mn\n0.321710 0.071898 0.374353 Mn\n0.678427 0.928206 0.625643 Mn\n0.821515 0.570988 0.374666 Mn\n0.978136 0.728082 0.577181 P\n0.478041 0.227970 0.577322 P\n0.521900 0.771977 0.422706 P\n0.021859 0.271932 0.422754 P\n0.032201 0.282183 0.931807 C\n0.532248 0.782243 0.931863 C\n0.467799 0.217836 0.068089 C\n0.967742 0.717768 0.068166 C\n0.978316 0.728167 0.947648 O\n0.478418 0.228176 0.947590 O\n0.521607 0.771865 0.052360 O\n0.021631 0.271895 0.052328 O\n0.923799 0.173736 0.909327 O\n0.423836 0.673779 0.909298 O\n0.576182 0.326260 0.090661 O\n0.076179 0.826225 0.090680 O\n0.159997 0.409733 0.832381 O\n0.659993 0.909750 0.832383 O\n0.340003 0.090303 0.167545 O\n0.840014 0.590197 0.167620 O\n0.524479 0.774599 0.561331 O\n0.024595 0.274696 0.561312 O\n0.975346 0.725243 0.438659 O\n0.475535 0.225498 0.438647 O\n0.136254 0.886169 0.546950 O\n0.636139 0.385921 0.547332 O\n0.363750 0.613985 0.452786 O\n0.863712 0.113888 0.452943 O\n0.817935 0.747668 0.659324 O\n0.317821 0.247565 0.659367 O\n0.997495 0.567815 0.659532 O\n0.497274 0.067598 0.659589 O\n0.502620 0.932345 0.340394 O\n0.002500 0.432238 0.340429 O\n0.682080 0.752352 0.340632 O\n0.182078 0.252460 0.340577 O\n",
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"formula_full": "K8 Li4 Mn4 P4 C4 O28",
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"spacegroup": 11
},
{
"id": "mp-1179108",
"created_at": "2022-09-04T14:42:26.243678Z",
"structure_string": "Sc2 O4\n1.0\n1.679996 -5.810883 0.000000\n1.679996 5.810883 0.000000\n0.000000 0.000000 3.970693\nSc O\n2 4\ndirect\n0.336429 0.663571 0.750000 Sc\n0.663571 0.336429 0.250000 Sc\n0.715697 0.284303 0.750000 O\n0.284303 0.715697 0.250000 O\n0.947703 0.052297 0.750000 O\n0.052297 0.947703 0.250000 O\n",
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"spacegroup": 63
},
{
"id": "mp-1221622",
"created_at": "2022-09-04T14:42:26.263951Z",
"structure_string": "Mn1 Co1 Sn1 Rh1\n1.0\n0.000000 3.083789 3.083789\n3.083789 0.000000 3.083789\n3.083789 3.083789 0.000000\nMn Co Sn Rh\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Rh\n",
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"formula_full": "Mn1 Co1 Sn1 Rh1",
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},
{
"id": "mp-1192779",
"created_at": "2022-09-04T14:42:26.228214Z",
"structure_string": "Cu4 H8 C2 O10\n1.0\n5.476620 0.000000 -1.780389\n0.000000 6.131867 0.000000\n-0.322594 0.000000 7.023524\nCu H C O\n4 8 2 10\ndirect\n0.000285 0.030536 0.000061 Cu\n0.999715 0.530536 0.999939 Cu\n0.496597 0.784800 0.997180 Cu\n0.503403 0.284800 0.002820 Cu\n0.423759 0.776099 0.581103 H\n0.576241 0.276099 0.418897 H\n0.879951 0.775909 0.713193 H\n0.120049 0.275909 0.286807 H\n0.162666 0.064152 0.733710 H\n0.837334 0.564152 0.266290 H\n0.802318 0.042706 0.267411 H\n0.197682 0.542706 0.732589 H\n0.258703 0.730990 0.446876 C\n0.741297 0.230990 0.553124 C\n0.260113 0.785203 0.274746 O\n0.739887 0.285203 0.725254 O\n0.841930 0.779856 0.838022 O\n0.158070 0.279856 0.161978 O\n0.085998 0.626121 0.483573 O\n0.914002 0.126121 0.516427 O\n0.267140 0.038997 0.881113 O\n0.732860 0.538997 0.118887 O\n0.729373 0.032113 0.114426 O\n0.270627 0.532113 0.885574 O\n",
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"density": 3.189429922538797,
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"formula_full": "Cu4 H8 C2 O10",
"formula_reduced": "Cu2H4CO5",
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"spacegroup": 4
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{
"id": "mp-1652156",
"created_at": "2022-09-04T14:42:26.670658Z",
"structure_string": "Ca2 V10 O14\n1.0\n3.104723 -0.001011 -0.000018\n-1.554050 5.129245 -0.000291\n-0.000101 -0.001067 18.004587\nCa V O\n2 10 14\ndirect\n0.789760 0.579384 0.749982 Ca\n0.208804 0.416860 0.250112 Ca\n0.726759 0.453736 0.429497 V\n0.726269 0.453441 0.070558 V\n0.458794 0.916949 0.151308 V\n0.458588 0.916829 0.348714 V\n0.002185 0.004310 0.497054 V\n0.002079 0.004215 0.002904 V\n0.272895 0.545775 0.572767 V\n0.272929 0.545920 0.927316 V\n0.540991 0.081944 0.848652 V\n0.541117 0.082245 0.651086 V\n0.458542 0.916748 0.749963 O\n0.539725 0.078761 0.250084 O\n0.630223 0.260656 0.958697 O\n0.368467 0.736743 0.039992 O\n0.368547 0.736897 0.459992 O\n0.630294 0.260665 0.541315 O\n0.167291 0.334866 0.827571 O\n0.832397 0.663157 0.171149 O\n0.832038 0.662936 0.328871 O\n0.167382 0.334947 0.672364 O\n0.915564 0.830806 0.891218 O\n0.085969 0.175192 0.112861 O\n0.086827 0.175223 0.387242 O\n0.915568 0.830795 0.608733 O\n",
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"formula_full": "Ca2 V10 O14",
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{
"id": "mp-1295905",
"created_at": "2022-09-04T14:42:26.993285Z",
"structure_string": "Sr4 Fe2 Sn2 O12\n1.0\n4.027534 0.000011 0.000108\n0.000023 8.101119 0.000166\n0.000215 0.000164 8.011134\nSr Fe Sn O\n4 2 2 12\ndirect\n0.000008 0.999454 0.984274 Sr\n0.999999 0.500549 0.984279 Sr\n0.000000 0.999451 0.515718 Sr\n0.999991 0.500546 0.515722 Sr\n0.500000 0.750000 0.749998 Fe\n0.500000 0.250000 0.749998 Fe\n0.500002 0.249999 0.250008 Sn\n0.500001 0.750001 0.250024 Sn\n0.499998 0.250007 0.990863 O\n0.499991 0.749996 0.990621 O\n0.500000 0.249993 0.509133 O\n0.500010 0.750004 0.509375 O\n0.499996 0.999800 0.249997 O\n0.500003 0.500199 0.250000 O\n0.999999 0.250000 0.249999 O\n0.000001 0.750000 0.249998 O\n0.499989 0.993394 0.749992 O\n0.500011 0.506606 0.750005 O\n0.000000 0.250000 0.749998 O\n0.000000 0.750000 0.749998 O\n",
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"formula_full": "Sr4 Fe2 Sn2 O12",
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{
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"structure_string": "K4 Sm8 N28\n1.0\n6.460773 0.000000 0.000000\n0.000000 12.328518 0.000000\n0.000000 0.000000 15.004431\nK Sm N\n4 8 28\ndirect\n0.671039 0.812800 0.500000 K\n0.328961 0.187200 0.500000 K\n0.171039 0.687200 0.000000 K\n0.828961 0.312800 0.000000 K\n0.619941 0.332524 0.728783 Sm\n0.380059 0.667476 0.728783 Sm\n0.119941 0.167476 0.771217 Sm\n0.880059 0.832524 0.771217 Sm\n0.380059 0.667476 0.271217 Sm\n0.619941 0.332524 0.271217 Sm\n0.880059 0.832524 0.228783 Sm\n0.119941 0.167476 0.228783 Sm\n0.500000 0.500000 0.754144 N\n0.000000 0.000000 0.745856 N\n0.500000 0.500000 0.245856 N\n0.000000 0.000000 0.254144 N\n0.842779 0.212130 0.616023 N\n0.157221 0.787870 0.616023 N\n0.342779 0.287870 0.883977 N\n0.657221 0.712130 0.883977 N\n0.157221 0.787870 0.383977 N\n0.842779 0.212130 0.383977 N\n0.657221 0.712130 0.116023 N\n0.342779 0.287870 0.116023 N\n0.364153 0.233255 0.678399 N\n0.635847 0.766745 0.678399 N\n0.864153 0.266745 0.821601 N\n0.135847 0.733255 0.821601 N\n0.635847 0.766745 0.321601 N\n0.364153 0.233255 0.321601 N\n0.135847 0.733255 0.178399 N\n0.864153 0.266745 0.178399 N\n0.400409 0.371937 0.901586 N\n0.599591 0.628063 0.901586 N\n0.900409 0.128063 0.598414 N\n0.099591 0.871937 0.598414 N\n0.599591 0.628063 0.098414 N\n0.400409 0.371937 0.098414 N\n0.099591 0.871937 0.401586 N\n0.900409 0.128063 0.401586 N\n",
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{
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"structure_string": "Ba2 Tb2 Eu2 Sb2 O12\n1.0\n5.967488 0.010469 0.009557\n0.012507 5.991540 -0.011483\n0.015448 -0.014540 8.452695\nBa Tb Eu Sb O\n2 2 2 2 12\ndirect\n0.995332 0.019367 0.249816 Ba\n0.004668 0.980633 0.750184 Ba\n0.500000 -0.000000 -0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.504632 0.528682 0.251139 Eu\n0.495368 0.471318 0.748861 Eu\n0.000000 0.500000 -0.000000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.210321 0.238982 0.967643 O\n0.299089 0.730138 0.534619 O\n0.789679 0.761018 0.032357 O\n0.700911 0.269862 0.465381 O\n0.266913 0.703871 0.962818 O\n0.239570 0.212262 0.528829 O\n0.733087 0.296129 0.037182 O\n0.760430 0.787738 0.471171 O\n0.447767 0.977025 0.264267 O\n0.074261 0.497120 0.235040 O\n0.552233 0.022975 0.735733 O\n0.925739 0.502880 0.764960 O\n",
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{
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"structure_string": "Dy4 Ru4 O14\n1.0\n0.000000 5.120945 5.120945\n5.120945 0.000000 5.120945\n5.120945 5.120945 0.000000\nDy Ru O\n4 4 14\ndirect\n0.125000 0.125000 0.625000 Dy\n0.125000 0.625000 0.125000 Dy\n0.625000 0.125000 0.125000 Dy\n0.125000 0.125000 0.125000 Dy\n0.625000 0.625000 0.125000 Ru\n0.625000 0.125000 0.625000 Ru\n0.125000 0.625000 0.625000 Ru\n0.625000 0.625000 0.625000 Ru\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.287334 0.712666 0.287334 O\n0.537334 0.962666 0.537334 O\n0.287334 0.287334 0.712666 O\n0.712666 0.287334 0.287334 O\n0.287334 0.712666 0.712666 O\n0.712666 0.712666 0.287334 O\n0.712666 0.287334 0.712666 O\n0.962666 0.537334 0.537334 O\n0.537334 0.962666 0.962666 O\n0.962666 0.537334 0.962666 O\n0.537334 0.537334 0.962666 O\n0.962666 0.962666 0.537334 O\n",
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{
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"structure_string": "Mg4 Mn8 Cu8 O32\n1.0\n6.424279 0.000000 -0.034498\n0.000000 8.279897 0.000000\n0.029501 0.000000 11.899233\nMg Mn Cu O\n4 8 8 32\ndirect\n0.113166 0.165133 0.048713 Mg\n0.886834 0.834867 0.951287 Mg\n0.886834 0.665133 0.451287 Mg\n0.113166 0.334867 0.548713 Mg\n0.098978 0.462136 0.844826 Mn\n0.098978 0.037864 0.344826 Mn\n0.612462 0.090113 0.131501 Mn\n0.901022 0.962136 0.655174 Mn\n0.387538 0.909887 0.868499 Mn\n0.387538 0.590113 0.368499 Mn\n0.612462 0.409887 0.631501 Mn\n0.901022 0.537864 0.155174 Mn\n0.764469 0.175674 0.864552 Cu\n0.386686 0.056347 0.633650 Cu\n0.613314 0.943653 0.366350 Cu\n0.235531 0.824326 0.135448 Cu\n0.764469 0.324326 0.364552 Cu\n0.386686 0.443653 0.133650 Cu\n0.235531 0.675674 0.635448 Cu\n0.613314 0.556347 0.866350 Cu\n0.033751 0.229338 0.393997 O\n0.670637 0.013220 0.593203 O\n0.188603 0.574079 0.470161 O\n0.811397 0.074079 0.029839 O\n0.033751 0.270662 0.893997 O\n0.966249 0.770662 0.606003 O\n0.087476 0.103809 0.616918 O\n0.513018 0.898854 0.140030 O\n0.513018 0.601146 0.640030 O\n0.319710 0.869118 0.728966 O\n0.680290 0.369118 0.771034 O\n0.486982 0.101146 0.859970 O\n0.912524 0.896191 0.383082 O\n0.877209 0.534932 0.298768 O\n0.418751 0.281595 0.585519 O\n0.418751 0.218405 0.085519 O\n0.122791 0.034932 0.201232 O\n0.486982 0.398854 0.359970 O\n0.122791 0.465068 0.701232 O\n0.811397 0.425922 0.529839 O\n0.670637 0.486780 0.093203 O\n0.680290 0.130882 0.271034 O\n0.966249 0.729338 0.106003 O\n0.087476 0.396191 0.116918 O\n0.188603 0.925921 0.970161 O\n0.581249 0.781595 0.914481 O\n0.329363 0.986780 0.406797 O\n0.329363 0.513220 0.906797 O\n0.912524 0.603809 0.883082 O\n0.581249 0.718405 0.414481 O\n0.319710 0.630882 0.228966 O\n0.877209 0.965068 0.798768 O\n",
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"formula_full": "Mg4 Mn8 Cu8 O32",
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"updated_at": "2021-11-28T01:35:44.098000Z",
"spacegroup": 14
},
{
"id": "mp-755584",
"created_at": "2022-09-04T14:42:26.292183Z",
"structure_string": "Cr4 Pt4 O8\n1.0\n4.479318 -2.589517 -0.012117\n-1.505902 0.869668 6.144715\n-2.945762 -5.108983 0.000749\nCr Pt O\n4 4 8\ndirect\n0.500018 0.500004 0.498495 Cr\n0.999980 0.499995 0.751505 Cr\n0.500023 0.500004 0.998494 Cr\n0.999978 0.499997 0.251507 Cr\n0.000005 0.000001 0.500840 Pt\n0.499995 0.999998 0.749158 Pt\n0.000006 0.000002 0.000812 Pt\n0.499994 0.999998 0.249188 Pt\n0.111018 0.330742 0.501427 O\n0.611014 0.330731 0.748471 O\n0.111013 0.330748 0.001414 O\n0.611006 0.330736 0.248485 O\n0.888986 0.669269 0.501529 O\n0.388982 0.669258 0.748574 O\n0.888995 0.669264 0.001516 O\n0.388987 0.669253 0.248586 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cr-O-Pt",
"density": 9.893258752247421,
"density_atomic": 0.08539319425685714,
"volume": 187.3685618536888,
"volume_molar": 7.052249084260503,
"formula_full": "Cr4 Pt4 O8",
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"total_magnetization": 1.6e-06,
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"updated_at": "2021-11-28T01:35:42.331000Z",
"spacegroup": 166
},
{
"id": "mp-1190439",
"created_at": "2022-09-04T14:42:26.311193Z",
"structure_string": "Sm4 Co6 Ge10\n1.0\n5.918670 5.610329 0.000000\n-5.918670 5.610329 0.000000\n0.000000 2.912563 5.029174\nSm Co Ge\n4 6 10\ndirect\n0.871088 0.595615 0.766205 Sm\n0.404385 0.128912 0.733795 Sm\n0.128912 0.404385 0.233795 Sm\n0.595615 0.871088 0.266205 Sm\n0.259995 0.539046 0.614591 Co\n0.460954 0.740005 0.885409 Co\n0.740005 0.460954 0.385409 Co\n0.539046 0.259995 0.114591 Co\n0.002276 0.997724 0.750000 Co\n0.997724 0.002276 0.250000 Co\n0.072145 0.259517 0.831979 Ge\n0.740483 0.927855 0.668021 Ge\n0.927855 0.740483 0.168021 Ge\n0.259517 0.072145 0.331979 Ge\n0.219371 0.780629 0.750000 Ge\n0.780629 0.219371 0.250000 Ge\n0.505793 0.494207 0.750000 Ge\n0.494207 0.505793 0.250000 Ge\n0.771799 0.228201 0.750000 Ge\n0.228201 0.771799 0.250000 Ge\n",
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"density": 8.359708700072465,
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"formula_full": "Sm4 Co6 Ge10",
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"updated_at": "2021-11-28T01:35:45.293000Z",
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}
]
}