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{
"id": "mp-1068786",
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"structure_string": "In1 Co3 N1\n1.0\n3.852677 0.000000 0.000000\n0.000000 3.852677 0.000000\n0.000000 0.000000 3.852677\nIn Co N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 N\n",
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"density": 3.6459633943316567,
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"formula_full": "Ca4 Co3 Si8 Ni1 O24",
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"energy": -315.31036843,
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{
"id": "mp-1210970",
"created_at": "2022-09-04T14:42:04.189741Z",
"structure_string": "Mn4 P8 H24 O20\n1.0\n7.520974 0.000000 0.000000\n0.000000 7.986139 0.000000\n0.000000 2.441511 10.663309\nMn P H O\n4 8 24 20\ndirect\n0.453074 0.807927 0.602639 Mn\n0.546926 0.192073 0.397361 Mn\n0.953074 0.192073 0.897361 Mn\n0.046926 0.807927 0.102639 Mn\n0.110558 0.531019 0.688417 P\n0.889442 0.468981 0.311583 P\n0.610558 0.468981 0.811583 P\n0.389442 0.531019 0.188417 P\n0.321946 0.966437 0.849354 P\n0.678054 0.033563 0.150646 P\n0.821946 0.033563 0.650646 P\n0.178054 0.966437 0.349354 P\n0.110195 0.617139 0.788864 H\n0.889805 0.382861 0.211136 H\n0.610195 0.382861 0.711136 H\n0.389805 0.617139 0.288864 H\n0.344596 0.402260 0.545691 H\n0.655404 0.597740 0.454309 H\n0.844596 0.597740 0.954309 H\n0.155404 0.402260 0.045691 H\n0.321958 0.201058 0.594199 H\n0.678042 0.798942 0.405801 H\n0.821958 0.798942 0.905801 H\n0.178042 0.201058 0.094199 H\n0.426481 0.828002 0.914391 H\n0.573519 0.171998 0.085609 H\n0.926481 0.171998 0.585609 H\n0.073519 0.828002 0.414391 H\n0.952066 0.590403 0.622410 H\n0.047934 0.409597 0.377590 H\n0.452066 0.409597 0.877590 H\n0.547934 0.590403 0.122410 H\n0.928370 0.887997 0.648842 H\n0.071630 0.112003 0.351158 H\n0.428370 0.112003 0.851158 H\n0.571630 0.887997 0.148842 H\n0.364693 0.290882 0.523750 O\n0.635307 0.709118 0.476250 O\n0.864693 0.709118 0.976250 O\n0.135307 0.290882 0.023750 O\n0.154467 0.976786 0.927503 O\n0.845533 0.023214 0.072497 O\n0.654467 0.023214 0.572497 O\n0.345533 0.976786 0.427503 O\n0.270311 0.594232 0.603285 O\n0.729689 0.405768 0.396715 O\n0.770311 0.405768 0.896715 O\n0.229689 0.594232 0.103285 O\n0.294742 0.951825 0.713539 O\n0.705258 0.048175 0.286461 O\n0.794742 0.048175 0.786461 O\n0.205258 0.951825 0.213539 O\n0.099743 0.337234 0.738565 O\n0.900257 0.662766 0.261435 O\n0.599743 0.662766 0.761435 O\n0.400257 0.337234 0.238565 O\n",
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"formula_full": "Mn4 P8 H24 O20",
"formula_reduced": "MnP2H6O5",
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"spacegroup": 14
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{
"id": "mp-1222708",
"created_at": "2022-09-04T14:47:03.706327Z",
"structure_string": "Li1 H7 S4 O16\n1.0\n5.058808 -0.007930 0.299552\n1.099562 7.177616 1.032712\n-0.083909 0.021333 8.815282\nLi H S O\n1 7 4 16\ndirect\n0.499231 0.502614 0.514366 Li\n0.810312 0.071658 0.824246 H\n0.184697 0.920235 0.169721 H\n0.058648 0.579187 0.767066 H\n0.928982 0.424293 0.239126 H\n0.631681 0.977032 0.323435 H\n0.372062 0.017514 0.679587 H\n0.471834 0.478228 0.003817 H\n0.970264 0.758421 0.337139 S\n0.032565 0.237300 0.663032 S\n0.668670 0.723529 0.815959 S\n0.314935 0.274391 0.188091 S\n0.195624 0.717176 0.435567 O\n0.810007 0.281800 0.562169 O\n0.983590 0.690840 0.818025 O\n0.003118 0.309573 0.189749 O\n0.602430 0.930627 0.794919 O\n0.384981 0.070371 0.206514 O\n0.813309 0.611560 0.324449 O\n0.187208 0.384446 0.679745 O\n0.586074 0.639111 0.690575 O\n0.413225 0.368359 0.301500 O\n0.787011 0.926911 0.393583 O\n0.218867 0.071336 0.605943 O\n0.570962 0.647072 0.968432 O\n0.404008 0.344218 0.025522 O\n0.056731 0.827403 0.168852 O\n0.938973 0.164795 0.828871 O\n",
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{
"id": "mp-776417",
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"structure_string": "Li1 V6 O7 F5\n1.0\n4.940602 0.000000 0.000000\n0.450679 5.655687 0.000000\n0.337164 0.741111 7.776815\nLi V O F\n1 6 7 5\ndirect\n0.500677 0.785904 0.216937 Li\n0.003660 0.007705 0.997781 V\n0.447835 0.456702 0.979539 V\n0.560716 0.210031 0.340376 V\n0.505977 0.818616 0.675621 V\n0.982650 0.340827 0.674828 V\n0.996828 0.653960 0.341294 V\n0.173524 0.284936 0.892550 O\n0.326371 0.485938 0.238339 O\n0.309696 0.793482 0.906078 O\n0.686260 0.189676 0.093239 O\n0.679798 0.520969 0.760556 O\n0.676129 0.871712 0.426012 O\n0.836295 0.372460 0.436695 O\n0.178177 0.969266 0.240530 F\n0.188749 0.639030 0.576036 F\n0.313400 0.141717 0.574457 F\n0.808363 0.021928 0.761726 F\n0.822066 0.697173 0.102018 F\n",
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{
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"created_at": "2022-09-04T14:47:20.810612Z",
"structure_string": "Li8 Fe4 P4 C4 O28\n1.0\n6.502204 0.000000 0.000000\n0.000000 5.087910 0.000000\n0.000000 1.473450 16.594128\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.269700 0.761073 0.047856 Li\n0.032380 0.247056 0.139351 Li\n0.532380 0.752944 0.360649 Li\n0.769700 0.238927 0.452144 Li\n0.230300 0.761073 0.547856 Li\n0.467620 0.247056 0.639351 Li\n0.967620 0.752944 0.860649 Li\n0.730300 0.238927 0.952144 Li\n0.734679 0.799830 0.164998 Fe\n0.234679 0.200170 0.335002 Fe\n0.765321 0.799830 0.664998 Fe\n0.265321 0.200170 0.835002 Fe\n0.244254 0.723708 0.209546 P\n0.744254 0.276292 0.290454 P\n0.255746 0.723708 0.709546 P\n0.755746 0.276292 0.790454 P\n0.773051 0.701313 0.020516 C\n0.273051 0.298687 0.479484 C\n0.726949 0.701313 0.520516 C\n0.226949 0.298687 0.979484 C\n0.754226 0.947584 0.037868 O\n0.212398 0.368865 0.050252 O\n0.771705 0.526743 0.083600 O\n0.058354 0.831190 0.158290 O\n0.430693 0.781267 0.152048 O\n0.770355 0.144207 0.211277 O\n0.217935 0.420423 0.230282 O\n0.717935 0.579577 0.269718 O\n0.270355 0.855793 0.288723 O\n0.558354 0.168810 0.341710 O\n0.930693 0.218733 0.347952 O\n0.271705 0.473257 0.416400 O\n0.712398 0.631135 0.449748 O\n0.254226 0.052416 0.462132 O\n0.745774 0.947584 0.537868 O\n0.287602 0.368865 0.550252 O\n0.728295 0.526743 0.583600 O\n0.069307 0.781267 0.652048 O\n0.441646 0.831190 0.658290 O\n0.729645 0.144207 0.711277 O\n0.282065 0.420423 0.730282 O\n0.782065 0.579577 0.769718 O\n0.229645 0.855793 0.788723 O\n0.569307 0.218733 0.847952 O\n0.941646 0.168810 0.841710 O\n0.228295 0.473257 0.916400 O\n0.787602 0.631135 0.949748 O\n0.245774 0.052416 0.962132 O\n",
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{
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"structure_string": "Ta2 Mn2 N2 O4\n1.0\n2.634423 4.530825 0.000000\n-2.634423 4.530825 0.000000\n0.000000 2.995032 4.790911\nTa Mn N O\n2 2 2 4\ndirect\n0.497462 0.996237 0.509375 Ta\n0.996237 0.497462 0.009375 Ta\n0.229033 0.688240 0.386780 Mn\n0.688240 0.229033 0.886780 Mn\n0.385509 0.632883 0.692356 N\n0.632883 0.385509 0.192356 N\n0.767932 0.898599 0.711640 O\n0.124229 0.278217 0.702339 O\n0.278217 0.124229 0.202339 O\n0.898599 0.767932 0.211640 O\n",
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{
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