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{
"id": "mp-1203769",
"created_at": "2022-09-04T14:44:12.421921Z",
"structure_string": "Cs4 Co6 N48\n1.0\n5.721770 0.000000 0.000000\n0.000000 11.276135 0.000000\n0.000000 6.750043 14.748597\nCs Co N\n4 6 48\ndirect\n0.666843 0.050983 0.345975 Cs\n0.833157 0.050983 0.845975 Cs\n0.333157 0.949017 0.654025 Cs\n0.166843 0.949017 0.154025 Cs\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.999536 0.497205 0.393288 Co\n0.500464 0.497205 0.893288 Co\n0.000464 0.502795 0.606712 Co\n0.499536 0.502795 0.106712 Co\n0.309536 0.396043 0.440480 N\n0.190464 0.396043 0.940480 N\n0.690464 0.603957 0.559520 N\n0.809536 0.603957 0.059520 N\n0.167939 0.608197 0.472083 N\n0.332061 0.608197 0.972083 N\n0.832061 0.391803 0.527917 N\n0.667939 0.391803 0.027917 N\n0.688409 0.602276 0.379856 N\n0.811591 0.602276 0.879856 N\n0.311591 0.397724 0.620144 N\n0.188409 0.397724 0.120144 N\n0.128178 0.627691 0.274238 N\n0.371822 0.627691 0.774238 N\n0.871822 0.372309 0.725762 N\n0.628178 0.372309 0.225762 N\n0.343624 0.287374 0.446241 N\n0.156376 0.287374 0.946241 N\n0.656376 0.712626 0.553759 N\n0.843624 0.712626 0.053759 N\n0.158705 0.726307 0.434437 N\n0.341295 0.726307 0.934437 N\n0.841295 0.273693 0.565563 N\n0.658705 0.273693 0.065563 N\n0.662123 0.713680 0.326118 N\n0.837877 0.713680 0.826118 N\n0.337877 0.286320 0.673882 N\n0.162123 0.286320 0.173882 N\n0.251315 0.624016 0.216179 N\n0.248685 0.624016 0.716179 N\n0.748685 0.375984 0.783821 N\n0.751315 0.375984 0.283821 N\n0.374380 0.181928 0.451702 N\n0.125620 0.181928 0.951702 N\n0.625620 0.818072 0.548298 N\n0.874380 0.818072 0.048298 N\n0.148453 0.839597 0.397316 N\n0.351547 0.839597 0.897316 N\n0.851547 0.160403 0.602684 N\n0.648453 0.160403 0.102684 N\n0.637857 0.821581 0.272916 N\n0.862143 0.821581 0.772916 N\n0.362143 0.178419 0.727084 N\n0.137857 0.178419 0.227084 N\n0.375151 0.630600 0.156088 N\n0.124849 0.630600 0.656088 N\n0.624849 0.369400 0.843912 N\n0.875151 0.369400 0.343912 N\n",
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"formula_full": "Cs4 Co6 N48",
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"updated_at": "2021-11-28T01:36:31.178000Z",
"spacegroup": 14
},
{
"id": "mp-759900",
"created_at": "2022-09-04T14:46:08.635546Z",
"structure_string": "K8 Li4 Nb4 O16\n1.0\n8.275005 0.000000 0.000000\n0.000000 5.929293 0.000000\n0.000000 3.178011 12.055388\nK Li Nb O\n8 4 4 16\ndirect\n0.509382 0.629135 0.658764 K\n0.243177 0.175170 0.138042 K\n0.009382 0.370865 0.841236 K\n0.256823 0.175170 0.638042 K\n0.743177 0.824830 0.361958 K\n0.990618 0.629135 0.158764 K\n0.756823 0.824830 0.861958 K\n0.490618 0.370865 0.341236 K\n0.474740 0.362564 0.909945 Li\n0.974740 0.637436 0.590055 Li\n0.025260 0.362564 0.409945 Li\n0.525260 0.637436 0.090055 Li\n0.220493 0.849325 0.432491 Nb\n0.720493 0.150675 0.067509 Nb\n0.279507 0.849325 0.932491 Nb\n0.779507 0.150675 0.567509 Nb\n0.799247 0.823530 0.617839 O\n0.197379 0.756885 0.588140 O\n0.552296 0.306928 0.121409 O\n0.926918 0.234337 0.100284 O\n0.697379 0.243115 0.911860 O\n0.299247 0.176470 0.882161 O\n0.426918 0.765663 0.399716 O\n0.052296 0.693072 0.378591 O\n0.947704 0.306928 0.621409 O\n0.573082 0.234337 0.600284 O\n0.700753 0.823530 0.117839 O\n0.302621 0.756885 0.088140 O\n0.073082 0.765663 0.899716 O\n0.447704 0.693072 0.878591 O\n0.802621 0.243115 0.411860 O\n0.200753 0.176470 0.382161 O\n",
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"density": 2.7179827665673115,
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"volume": 591.4967589572987,
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"formula_full": "K8 Li4 Nb4 O16",
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{
"id": "mp-1199536",
"created_at": "2022-09-04T14:43:07.867890Z",
"structure_string": "Sn4 Mo4 H24 C8 O16\n1.0\n7.380515 0.000000 0.000000\n0.000000 7.443991 0.000000\n0.000000 0.000000 13.731880\nSn Mo H C O\n4 4 24 8 16\ndirect\n0.725916 0.750000 0.372653 Sn\n0.774084 0.750000 0.872653 Sn\n0.274084 0.250000 0.627347 Sn\n0.225916 0.250000 0.127347 Sn\n0.565297 0.250000 0.385501 Mo\n0.934703 0.250000 0.885501 Mo\n0.434703 0.750000 0.614499 Mo\n0.065297 0.750000 0.114499 Mo\n0.966464 0.750000 0.518422 H\n0.533536 0.750000 0.018422 H\n0.033536 0.250000 0.481578 H\n0.466464 0.250000 0.981578 H\n0.059175 0.870691 0.416412 H\n0.440825 0.629309 0.916412 H\n0.940825 0.370691 0.583588 H\n0.559175 0.129309 0.083588 H\n0.940825 0.129309 0.583588 H\n0.559175 0.370691 0.083588 H\n0.059175 0.629309 0.416412 H\n0.440825 0.870691 0.916412 H\n0.384312 0.750000 0.311651 H\n0.115688 0.750000 0.811651 H\n0.615688 0.250000 0.688349 H\n0.884312 0.250000 0.188349 H\n0.521213 0.629154 0.225312 H\n0.978787 0.870846 0.725312 H\n0.478787 0.129154 0.774688 H\n0.021213 0.370846 0.274688 H\n0.478787 0.370846 0.774688 H\n0.021213 0.129154 0.274688 H\n0.521213 0.870846 0.225312 H\n0.978787 0.629154 0.725312 H\n0.986176 0.750000 0.439428 C\n0.513824 0.750000 0.939428 C\n0.013824 0.250000 0.560572 C\n0.486176 0.250000 0.060572 C\n0.511094 0.750000 0.270145 C\n0.988906 0.750000 0.770145 C\n0.488906 0.250000 0.729855 C\n0.011094 0.250000 0.229855 C\n0.705766 0.448146 0.382357 O\n0.794234 0.051854 0.882357 O\n0.294234 0.948146 0.617643 O\n0.205766 0.551854 0.117643 O\n0.294234 0.551854 0.617643 O\n0.205766 0.948146 0.117643 O\n0.705766 0.051854 0.382357 O\n0.794234 0.448146 0.882357 O\n0.432571 0.250000 0.496491 O\n0.067429 0.250000 0.996491 O\n0.567429 0.750000 0.503509 O\n0.932571 0.750000 0.003509 O\n0.419582 0.250000 0.283318 O\n0.080418 0.250000 0.783318 O\n0.580418 0.750000 0.716682 O\n0.919582 0.750000 0.216682 O\n",
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"formula_full": "Sn4 Mo4 H24 C8 O16",
"formula_reduced": "SnMoH6(CO2)2",
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"energy": -342.19339189,
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},
{
"id": "mp-1176385",
"created_at": "2022-09-04T14:46:23.338364Z",
"structure_string": "Na8 Mn4 P4 C4 O28\n1.0\n6.780108 0.000000 0.000000\n-0.071038 10.223591 0.000000\n-0.030533 -5.086567 9.021836\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.982991 0.744337 0.749215 Na\n0.519125 0.743583 0.750668 Na\n0.992853 0.757670 0.255920 Na\n0.508591 0.758919 0.255741 Na\n0.491165 0.247282 0.740164 Na\n0.004146 0.245805 0.736475 Na\n0.012933 0.250601 0.259704 Na\n0.264206 0.087581 0.938815 Na\n0.248573 0.647079 0.931631 Mn\n0.251368 0.643963 0.434818 Mn\n0.742191 0.350329 0.562279 Mn\n0.744071 0.349305 0.070470 Mn\n0.749531 0.577669 0.935768 P\n0.751862 0.579385 0.433083 P\n0.247638 0.421123 0.566253 P\n0.248372 0.419213 0.058349 P\n0.247390 0.926707 0.098488 C\n0.251122 0.926858 0.605610 C\n0.750750 0.073608 0.400177 C\n0.753057 0.073248 0.900170 C\n0.753582 0.933457 0.328333 O\n0.753889 0.932707 0.821241 O\n0.252973 0.849831 0.949431 O\n0.252355 0.852468 0.459358 O\n0.250333 0.838878 0.156232 O\n0.254215 0.841132 0.666202 O\n0.934694 0.671673 0.947465 O\n0.562981 0.667791 0.945661 O\n0.938569 0.675544 0.450337 O\n0.564087 0.668856 0.442819 O\n0.749538 0.546814 0.567826 O\n0.246144 0.578266 0.709737 O\n0.750606 0.544465 0.070422 O\n0.252137 0.571007 0.205013 O\n0.750001 0.424434 0.789460 O\n0.238303 0.454913 0.925192 O\n0.760661 0.427288 0.287926 O\n0.243862 0.455667 0.432510 O\n0.432123 0.334637 0.563210 O\n0.061118 0.329702 0.554441 O\n0.433041 0.322759 0.032553 O\n0.067941 0.320295 0.045449 O\n0.755631 0.163536 0.345615 O\n0.748124 0.167294 0.848180 O\n0.742039 0.148443 0.548186 O\n0.755026 0.142639 0.046046 O\n0.238990 0.066166 0.164091 O\n0.247199 0.068348 0.681329 O\n",
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"volume": 625.3670672788794,
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"formula_full": "Na8 Mn4 P4 C4 O28",
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{
"id": "mp-1247107",
"created_at": "2022-09-04T14:46:03.639365Z",
"structure_string": "Ca8 Mg4 N8\n1.0\n6.352223 0.000000 -0.446965\n0.000000 8.239896 0.000000\n-0.462549 0.000000 6.217755\nCa Mg N\n8 4 8\ndirect\n0.075676 0.134011 0.690745 Ca\n0.924324 0.634011 0.809255 Ca\n0.924324 0.865989 0.309255 Ca\n0.075676 0.365989 0.190745 Ca\n0.665221 0.365554 0.554054 Ca\n0.334779 0.865554 0.945946 Ca\n0.334779 0.634446 0.445946 Ca\n0.665221 0.134446 0.054054 Ca\n0.374628 0.388895 0.881462 Mg\n0.625372 0.888895 0.618538 Mg\n0.625372 0.611105 0.118538 Mg\n0.374628 0.111105 0.381462 Mg\n0.271661 0.907246 0.555570 N\n0.728339 0.407246 0.944430 N\n0.728339 0.092754 0.444430 N\n0.271661 0.592754 0.055570 N\n0.283824 0.341341 0.544595 N\n0.716176 0.841341 0.955405 N\n0.716176 0.658659 0.455405 N\n0.283824 0.158659 0.044595 N\n",
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{
"id": "mp-768624",
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"structure_string": "Li8 Fe4 P4 C4 O28\n1.0\n5.090515 0.000000 0.000000\n-0.026379 6.510671 0.000000\n-1.409281 -0.163092 16.569408\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.760863 0.735925 0.951336 Li\n0.247828 0.968459 0.862195 Li\n0.750333 0.033026 0.636890 Li\n0.238418 0.250366 0.548383 Li\n0.762003 0.754683 0.451730 Li\n0.248181 0.533855 0.361973 Li\n0.753147 0.031180 0.138247 Li\n0.240541 0.268419 0.047438 Li\n0.798487 0.261726 0.834488 Fe\n0.201292 0.742619 0.665328 Fe\n0.799244 0.239348 0.334921 Fe\n0.199744 0.734187 0.165348 Fe\n0.722051 0.760488 0.789835 P\n0.277816 0.243032 0.710117 P\n0.722179 0.748063 0.290388 P\n0.277480 0.245932 0.209744 P\n0.703279 0.232479 0.979828 C\n0.297884 0.748350 0.519993 C\n0.702983 0.252436 0.479955 C\n0.296666 0.769554 0.020420 C\n0.948307 0.250593 0.961749 O\n0.365695 0.782282 0.948828 O\n0.526480 0.236040 0.917619 O\n0.824410 0.936165 0.848758 O\n0.784106 0.563866 0.839346 O\n0.144652 0.233009 0.789984 O\n0.418537 0.782772 0.769740 O\n0.581138 0.218660 0.730131 O\n0.855274 0.769516 0.709939 O\n0.217776 0.440020 0.660813 O\n0.173620 0.067610 0.651086 O\n0.473479 0.774287 0.581906 O\n0.633291 0.223829 0.550693 O\n0.051908 0.743961 0.538583 O\n0.949005 0.250795 0.461670 O\n0.366654 0.724109 0.449070 O\n0.528078 0.279506 0.418418 O\n0.781157 0.935600 0.347614 O\n0.828256 0.563684 0.342074 O\n0.145564 0.272691 0.289404 O\n0.419072 0.721352 0.269942 O\n0.580588 0.222529 0.230260 O\n0.854062 0.770606 0.210715 O\n0.217826 0.430754 0.152525 O\n0.171963 0.058595 0.158285 O\n0.472552 0.769186 0.082795 O\n0.634901 0.215308 0.051234 O\n0.051227 0.752519 0.038259 O\n",
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{
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