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{
"id": "mp-780326",
"created_at": "2022-09-04T14:41:01.567271Z",
"structure_string": "Ni4 I8 O24\n1.0\n10.871772 0.000000 0.000000\n0.000000 6.660215 0.000000\n0.000000 3.982013 7.629013\nNi I O\n4 8 24\ndirect\n0.905472 0.109298 0.085749 Ni\n0.405472 0.890702 0.414251 Ni\n0.594528 0.109298 0.585749 Ni\n0.094528 0.890702 0.914251 Ni\n0.206420 0.361138 0.926901 I\n0.706420 0.638862 0.573099 I\n0.083082 0.768899 0.476780 I\n0.583082 0.231101 0.023220 I\n0.416918 0.768899 0.976780 I\n0.916918 0.231101 0.523220 I\n0.293580 0.361138 0.426901 I\n0.793580 0.638862 0.073099 I\n0.077944 0.148315 0.981641 O\n0.899167 0.398561 0.641976 O\n0.609263 0.406229 0.594725 O\n0.217339 0.441787 0.693910 O\n0.717339 0.558213 0.806090 O\n0.718387 0.044017 0.112892 O\n0.458968 0.035191 0.156894 O\n0.109263 0.593771 0.905275 O\n0.958968 0.964809 0.343106 O\n0.218387 0.955983 0.387108 O\n0.399167 0.601439 0.858024 O\n0.577944 0.851685 0.518359 O\n0.422056 0.148315 0.481641 O\n0.600833 0.398561 0.141976 O\n0.781613 0.044017 0.612892 O\n0.041032 0.035191 0.656894 O\n0.890737 0.406229 0.094725 O\n0.541032 0.964809 0.843106 O\n0.281613 0.955983 0.887108 O\n0.282661 0.441787 0.193910 O\n0.782661 0.558213 0.306090 O\n0.390737 0.593771 0.405275 O\n0.100833 0.601439 0.358024 O\n0.922056 0.851685 0.018359 O\n",
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{
"id": "mp-1233094",
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"structure_string": "Sr4 Ca1 Mn2 Ga2 O11\n1.0\n-4.113686 4.053930 -0.162704\n-4.128909 -4.067650 -0.071827\n-3.883140 -0.097785 7.956002\nSr Ca Mn Ga O\n4 1 2 2 11\ndirect\n0.067628 0.578981 0.836589 Sr\n0.630974 0.129969 0.729070 Sr\n0.432372 0.921019 0.163411 Sr\n0.869026 0.370031 0.270930 Sr\n0.250000 0.750000 0.500000 Ca\n0.250000 0.250000 0.500000 Mn\n0.750000 0.750000 0.500000 Mn\n0.509759 0.486478 0.999365 Ga\n0.990241 0.013522 0.000635 Ga\n0.164811 0.044181 0.771366 O\n0.539293 0.669935 0.768269 O\n0.335189 0.455819 0.228634 O\n0.960707 0.830065 0.231731 O\n0.546338 0.015102 0.431090 O\n0.953662 0.484898 0.568910 O\n0.991360 0.032458 0.498724 O\n0.508640 0.467542 0.501276 O\n0.750000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.000000 O\n",
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"formula_full": "Sr4 Ca1 Mn2 Ga2 O11",
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{
"id": "mp-30630",
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"structure_string": "Eu2 Tl4\n1.0\n2.588996 -4.484273 0.000000\n2.588996 4.484273 0.000000\n0.000000 0.000000 8.092918\nEu Tl\n2 4\ndirect\n0.000000 0.000000 0.250000 Eu\n0.000000 0.000000 0.750000 Eu\n0.333333 0.666667 0.453356 Tl\n0.666667 0.333333 0.953356 Tl\n0.666667 0.333333 0.546644 Tl\n0.333333 0.666667 0.046644 Tl\n",
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{
"id": "mp-1185240",
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"structure_string": "Li1 Y3\n1.0\n4.919707 0.000000 0.000000\n0.000000 4.919707 0.000000\n0.000000 0.000000 4.919707\nLi Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n",
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"formula_full": "Li1 Y3",
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"spacegroup": 221
},
{
"id": "mp-22955",
"created_at": "2022-09-04T14:41:01.609876Z",
"structure_string": "Li2 I2 O6\n1.0\n2.770007 -4.797793 0.000000\n2.770007 4.797793 0.000000\n0.000000 0.000000 5.282965\nLi I O\n2 2 6\ndirect\n0.000000 0.000000 0.077643 Li\n0.000000 0.000000 0.577643 Li\n0.666667 0.333333 0.498527 I\n0.333333 0.666667 0.998527 I\n0.749243 0.659588 0.338177 O\n0.250757 0.340412 0.838177 O\n0.089655 0.749243 0.838177 O\n0.340412 0.089655 0.338177 O\n0.659588 0.910345 0.838177 O\n0.910345 0.250757 0.338177 O\n",
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"volume": 140.42036648121226,
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"formula_full": "Li2 I2 O6",
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"formula_anonymous": "ABC3",
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{
"id": "mp-1045769",
"created_at": "2022-09-04T14:41:01.614285Z",
"structure_string": "Ba4 Mn4 Cu2 F28\n1.0\n2.686339 7.085922 0.000000\n-2.686339 7.085922 0.000000\n0.000000 0.172309 15.108888\nBa Mn Cu F\n4 4 2 28\ndirect\n0.753341 0.893143 0.627180 Ba\n0.893143 0.753341 0.127180 Ba\n0.246659 0.106857 0.372820 Ba\n0.106857 0.246659 0.872820 Ba\n0.854785 0.895088 0.874269 Mn\n0.145215 0.104912 0.125731 Mn\n0.895088 0.854785 0.374269 Mn\n0.104912 0.145215 0.625731 Mn\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.931648 0.060103 0.347682 F\n0.608337 0.114945 0.451317 F\n0.391663 0.885055 0.548683 F\n0.148417 0.346602 0.590226 F\n0.485917 0.385102 0.605115 F\n0.614898 0.514083 0.894885 F\n0.114945 0.608337 0.951317 F\n0.939897 0.068352 0.152318 F\n0.007464 0.645350 0.784682 F\n0.851583 0.653398 0.409774 F\n0.593011 0.155854 0.797261 F\n0.653398 0.851583 0.909774 F\n0.155854 0.593011 0.297261 F\n0.406989 0.844146 0.202739 F\n0.385102 0.485917 0.105115 F\n0.992536 0.354650 0.215318 F\n0.293670 0.876751 0.026451 F\n0.068352 0.939897 0.652318 F\n0.706330 0.123249 0.973549 F\n0.876751 0.293670 0.526451 F\n0.885055 0.391663 0.048683 F\n0.844146 0.406989 0.702739 F\n0.645350 0.007464 0.284682 F\n0.123249 0.706330 0.473549 F\n0.514083 0.614898 0.394885 F\n0.060103 0.931648 0.847682 F\n0.354650 0.992536 0.715318 F\n0.346602 0.148417 0.090226 F\n",
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],
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"density": 4.1227813811136516,
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"volume": 575.2010658235529,
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"formula_full": "Ba4 Mn4 Cu2 F28",
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"energy": -218.78116101,
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{
"id": "mp-757047",
"created_at": "2022-09-04T14:41:01.620069Z",
"structure_string": "Li2 Sn2 P8 O24\n1.0\n8.810761 0.000000 0.000000\n0.000000 7.005752 0.000000\n0.000000 0.070033 7.769390\nLi Sn P O\n2 2 8 24\ndirect\n0.624687 0.295638 0.639379 Li\n0.124687 0.704362 0.360621 Li\n0.287993 0.237938 0.227434 Sn\n0.787993 0.762062 0.772566 Sn\n0.100485 0.993299 0.593767 P\n0.818249 0.084819 0.113491 P\n0.992588 0.399963 0.585262 P\n0.626830 0.443490 0.094086 P\n0.126830 0.556510 0.905914 P\n0.492588 0.600037 0.414738 P\n0.318249 0.915181 0.886509 P\n0.600485 0.006701 0.406233 P\n0.181119 0.013861 0.776362 O\n0.791545 0.020098 0.929157 O\n0.206826 0.992234 0.441988 O\n0.965124 0.055900 0.200508 O\n0.992484 0.172699 0.600137 O\n0.499228 0.182481 0.406293 O\n0.774123 0.311557 0.113840 O\n0.484809 0.326606 0.065597 O\n0.039660 0.458706 0.408848 O\n0.155674 0.404068 0.039162 O\n0.125292 0.458243 0.719289 O\n0.837785 0.455043 0.655359 O\n0.337785 0.544957 0.344641 O\n0.625292 0.541757 0.280711 O\n0.655674 0.595932 0.960838 O\n0.539660 0.541294 0.591152 O\n0.984809 0.673394 0.934403 O\n0.274123 0.688443 0.886160 O\n0.999228 0.817519 0.593707 O\n0.492484 0.827301 0.399863 O\n0.465124 0.944100 0.799492 O\n0.706826 0.007766 0.558012 O\n0.291545 0.979902 0.070843 O\n0.681119 0.986139 0.223638 O\n",
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"formula_full": "Li2 Sn2 P8 O24",
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{
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"structure_string": "Sm1 Sb1\n1.0\n0.000000 3.162828 3.162828\n3.162828 0.000000 3.162828\n3.162828 3.162828 0.000000\nSm Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "mp-1100467",
"created_at": "2022-09-04T14:41:01.603899Z",
"structure_string": "Mg4 Si8\n1.0\n3.694653 0.000000 0.000000\n0.348778 5.339721 0.000000\n0.679998 0.701438 11.779471\nMg Si\n4 8\ndirect\n0.914710 0.012848 0.037282 Mg\n0.461328 0.822573 0.823156 Mg\n0.562454 0.353705 0.646526 Mg\n0.041353 0.649975 0.410621 Mg\n0.940765 0.515222 0.958898 Si\n0.948827 0.512352 0.163230 Si\n0.134704 0.147974 0.285588 Si\n0.007334 0.748754 0.649583 Si\n0.406235 0.781766 0.192987 Si\n0.471371 0.301225 0.882005 Si\n0.510384 0.914246 0.546817 Si\n0.600455 0.239291 0.403404 Si\n",
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{
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"structure_string": "Cs2 Er4 Ag6 Te10\n1.0\n2.338970 -8.197007 0.000000\n2.338970 8.197007 0.000000\n0.000000 0.000000 18.600269\nCs Er Ag Te\n2 4 6 10\ndirect\n0.557479 0.442521 0.250000 Cs\n0.442521 0.557479 0.750000 Cs\n0.693608 0.306392 0.905266 Er\n0.306392 0.693608 0.094734 Er\n0.693608 0.306392 0.594734 Er\n0.306392 0.693608 0.405266 Er\n0.841589 0.158411 0.250000 Ag\n0.158411 0.841589 0.750000 Ag\n0.081039 0.918961 0.462112 Ag\n0.918961 0.081039 0.537888 Ag\n0.081039 0.918961 0.037888 Ag\n0.918961 0.081039 0.962112 Ag\n0.069301 0.930699 0.883205 Te\n0.930699 0.069301 0.116795 Te\n0.069301 0.930699 0.616795 Te\n0.930699 0.069301 0.383205 Te\n0.681531 0.318469 0.431229 Te\n0.318469 0.681531 0.568771 Te\n0.681531 0.318469 0.068771 Te\n0.318469 0.681531 0.931229 Te\n0.245089 0.754911 0.250000 Te\n0.754911 0.245089 0.750000 Te\n",
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{
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},
{
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}
]
}