{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10220","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10218","results":[{"id":"mp-1226808","created_at":"2022-09-04T14:47:18.893053Z","structure_string":"Ce2 Co1 Si3\n1.0\n2.027023 -3.510906 0.000000\n2.027023 3.510906 0.000000\n0.000000 0.000000 8.119657\nCe Co Si\n2 1 3\ndirect\n0.666667 0.333333 0.237651 Ce\n0.666667 0.333333 0.762349 Ce\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Si\n0.333333 0.666667 0.000000 Si\n0.333333 0.666667 0.500000 Si\n","nsites":6,"nelements":3,"elements":["Ce","Co","Si"],"chemical_system":"Ce-Co-Si","density":6.083824059389583,"density_atomic":0.05191653421166317,"volume":115.5701182890611,"volume_molar":11.59965866644294,"formula_full":"Ce2 Co1 Si3","formula_reduced":"Ce2CoSi3","formula_anonymous":"AB2C3","energy":-39.0463604,"energy_per_atom":-6.507726733333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.2593604,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0430262,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.753000Z","spacegroup":187},{"id":"mp-1197106","created_at":"2022-09-04T14:46:53.783027Z","structure_string":"B24 H28 O24\n1.0\n8.284288 0.000000 0.000000\n0.000000 8.364368 0.000000\n-8.226490 0.000000 8.379456\nB H O\n24 28 24\ndirect\n0.558722 0.503977 0.888613 B\n0.558722 0.996023 0.388613 B\n0.441278 0.496023 0.111387 B\n0.441278 0.003977 0.611387 B\n0.354483 0.368853 0.843432 B\n0.354483 0.131147 0.343432 B\n0.645517 0.631147 0.156568 B\n0.645517 0.868853 0.656568 B\n0.224051 0.466009 0.898289 B\n0.224051 0.033991 0.398289 B\n0.775949 0.533991 0.101711 B\n0.775949 0.966009 0.601711 B\n0.352018 0.660074 0.980155 B\n0.352018 0.839926 0.480155 B\n0.647982 0.339926 0.019845 B\n0.647982 0.160074 0.519845 B\n0.560704 0.683449 0.973490 B\n0.560704 0.816551 0.473490 B\n0.439296 0.316551 0.026510 B\n0.439296 0.183449 0.526510 B\n0.298467 0.582327 0.812534 B\n0.298467 0.917673 0.312534 B\n0.701533 0.417673 0.187466 B\n0.701533 0.082327 0.687466 B\n0.675482 0.616245 0.786292 H\n0.675482 0.883755 0.286292 H\n0.324518 0.383755 0.213708 H\n0.324518 0.116245 0.713708 H\n0.520143 0.434222 0.692512 H\n0.520143 0.065778 0.192512 H\n0.479857 0.565778 0.307488 H\n0.479857 0.934222 0.807488 H\n0.073586 0.242183 0.654471 H\n0.073586 0.257817 0.154471 H\n0.926414 0.757817 0.345529 H\n0.926414 0.742183 0.845529 H\n0.957259 0.352767 0.842102 H\n0.957259 0.147233 0.342102 H\n0.042741 0.647233 0.157898 H\n0.042741 0.852767 0.657898 H\n0.170718 0.866769 0.882805 H\n0.170718 0.633231 0.382805 H\n0.829282 0.133231 0.117195 H\n0.829282 0.366769 0.617195 H\n0.774795 0.853920 0.015292 H\n0.774795 0.646080 0.515292 H\n0.225205 0.146080 0.984708 H\n0.225205 0.353920 0.484708 H\n0.165256 0.661060 0.595499 H\n0.165256 0.838940 0.095499 H\n0.834744 0.338940 0.404501 H\n0.834744 0.161060 0.904501 H\n0.614253 0.507053 0.794778 O\n0.614253 0.992947 0.294778 O\n0.385747 0.492947 0.205222 O\n0.385747 0.007053 0.705222 O\n0.235503 0.256023 0.713173 O\n0.235503 0.243977 0.213173 O\n0.764497 0.743977 0.286827 O\n0.764497 0.756023 0.786827 O\n0.988696 0.446257 0.808492 O\n0.988696 0.053743 0.308492 O\n0.011304 0.553743 0.191508 O\n0.011304 0.946257 0.691508 O\n0.220364 0.787333 0.965750 O\n0.220364 0.712667 0.465750 O\n0.779636 0.212667 0.034250 O\n0.779636 0.287333 0.534250 O\n0.612976 0.839135 0.951847 O\n0.612976 0.660865 0.451847 O\n0.387024 0.160865 0.048153 O\n0.387024 0.339135 0.548153 O\n0.122987 0.652648 0.655623 O\n0.122987 0.847352 0.155623 O\n0.877013 0.347352 0.344377 O\n0.877013 0.152648 0.844377 O\n","nsites":76,"nelements":3,"elements":["B","H","O"],"chemical_system":"B-H-O","density":1.920888447803473,"density_atomic":0.13089089792387484,"volume":580.6362490094691,"volume_molar":4.600885818280833,"formula_full":"B24 H28 O24","formula_reduced":"B6H7O6","formula_anonymous":"A6B6C7","energy":-472.33778019,"energy_per_atom":-6.214970791973684,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-455.84978018999993,"band_gap":2.1929,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0341512,"is_theoretical":false,"updated_at":"2021-11-28T01:37:38.891000Z","spacegroup":14},{"id":"mp-759753","created_at":"2022-09-04T14:46:53.790604Z","structure_string":"Li6 V3 Cr3 P12 O42\n1.0\n7.021774 0.000000 0.000000\n-0.011399 8.223257 0.000000\n-2.333721 -0.016828 13.844088\nLi V Cr P O\n6 3 3 12 42\ndirect\n0.382764 0.862825 0.059018 Li\n0.951291 0.362937 0.274525 Li\n0.715432 0.862896 0.392042 Li\n0.284188 0.362593 0.607889 Li\n0.048903 0.863174 0.725699 Li\n0.617155 0.362868 0.940917 Li\n0.990082 0.999482 0.261169 V\n0.676400 0.499591 0.405264 V\n0.009473 0.499674 0.739105 V\n0.343443 0.500039 0.071197 Cr\n0.322726 0.999959 0.595618 Cr\n0.656470 0.999986 0.928612 Cr\n0.609920 0.180691 0.132940 P\n0.984787 0.783092 0.070156 P\n0.347814 0.284913 0.261835 P\n0.721134 0.679582 0.199505 P\n0.318960 0.785100 0.404603 P\n0.056801 0.680779 0.533321 P\n0.945598 0.179835 0.466993 P\n0.680526 0.282340 0.595777 P\n0.279029 0.179492 0.800022 P\n0.650930 0.785686 0.737401 P\n0.015383 0.282718 0.929586 P\n0.390337 0.680551 0.866933 P\n0.163530 0.323136 0.017934 O\n0.159769 0.693094 0.043619 O\n0.051584 0.933542 0.131948 O\n0.580182 0.037981 0.061866 O\n0.573017 0.346230 0.082435 O\n0.525611 0.678374 0.132297 O\n0.284312 0.434809 0.199905 O\n0.444666 0.151924 0.198153 O\n0.888495 0.651823 0.134835 O\n0.174288 0.197001 0.289720 O\n0.167992 0.823396 0.316485 O\n0.805933 0.179840 0.200230 O\n0.755894 0.843970 0.250622 O\n0.753672 0.536938 0.270803 O\n0.498717 0.323371 0.350058 O\n0.492342 0.696863 0.376853 O\n0.221959 0.652033 0.468193 O\n0.382728 0.934937 0.466783 O\n0.140787 0.178659 0.534324 O\n0.912968 0.037170 0.395543 O\n0.910394 0.344166 0.416087 O\n0.093571 0.846125 0.584092 O\n0.086893 0.538471 0.604751 O\n0.860720 0.679682 0.466203 O\n0.614668 0.433153 0.534644 O\n0.777959 0.151664 0.531594 O\n0.506324 0.192756 0.622963 O\n0.501780 0.824134 0.649014 O\n0.247015 0.036514 0.728982 O\n0.244173 0.344112 0.749262 O\n0.193903 0.679577 0.799824 O\n0.830668 0.322448 0.683808 O\n0.825053 0.697145 0.710106 O\n0.111489 0.151608 0.864747 O\n0.555290 0.652046 0.801710 O\n0.715641 0.935063 0.800010 O\n0.474313 0.178453 0.867556 O\n0.426910 0.846177 0.917615 O\n0.419791 0.538013 0.938032 O\n0.948754 0.433266 0.868098 O\n0.840235 0.192999 0.956217 O\n0.836470 0.823275 0.981954 O\n","nsites":66,"nelements":5,"elements":["Li","V","Cr","P","O"],"chemical_system":"Cr-Li-O-P-V","density":2.8959682880558284,"density_atomic":0.08256364799517317,"volume":799.3832831109702,"volume_molar":7.2939373516442325,"formula_full":"Li6 V3 Cr3 P12 O42","formula_reduced":"Li2VCr(P2O7)2","formula_anonymous":"ABC2D4E14","energy":-519.03846514,"energy_per_atom":-7.864219168787878,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-479.08746514,"band_gap":2.1774,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":15.0955868,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.597000Z","spacegroup":1},{"id":"mp-552051","created_at":"2022-09-04T14:46:53.798473Z","structure_string":"Ca8 Co4 Te4 O24\n1.0\n-5.500726 5.664891 0.037008\n-5.499983 -5.663244 0.037120\n5.506348 -0.001314 7.775932\nCa Co Te O\n8 4 4 24\ndirect\n0.157894 0.106165 0.251130 Ca\n0.657891 0.606146 0.251100 Ca\n0.342127 0.393830 0.748882 Ca\n0.842085 0.893851 0.748879 Ca\n0.643838 0.092080 0.248860 Ca\n0.143819 0.592082 0.248867 Ca\n0.856147 0.407910 0.751135 Ca\n0.356186 0.907925 0.751125 Ca\n0.249991 0.249996 0.999985 Co\n0.999986 0.499985 0.499969 Co\n0.749992 0.749996 0.999983 Co\n0.500003 0.999997 0.499993 Co\n0.749989 0.250020 0.000053 Te\n0.249988 0.749998 0.999932 Te\n0.499992 0.499993 0.499937 Te\n0.000025 0.999978 0.500047 Te\n0.522014 0.237204 0.447197 O\n0.021979 0.737405 0.447141 O\n0.987261 0.772007 0.947228 O\n0.487468 0.271958 0.947137 O\n0.978011 0.262558 0.552776 O\n0.478006 0.762811 0.552814 O\n0.512758 0.728023 0.052803 O\n0.012493 0.228025 0.052761 O\n0.736673 0.928206 0.454177 O\n0.236936 0.428199 0.454226 O\n0.178231 0.486820 0.954234 O\n0.678201 0.986617 0.954165 O\n0.763078 0.571839 0.545882 O\n0.263289 0.071816 0.545811 O\n0.321810 0.013202 0.045875 O\n0.821814 0.513339 0.045818 O\n0.694467 0.160282 0.759172 O\n0.194610 0.660385 0.759394 O\n0.589707 0.555518 0.740839 O\n0.089598 0.055391 0.740674 O\n0.805416 0.339615 0.240653 O\n0.305546 0.839697 0.240820 O\n0.910283 0.944499 0.259181 O\n0.410393 0.444631 0.259348 O\n","nsites":40,"nelements":4,"elements":["Ca","Co","Te","O"],"chemical_system":"Ca-Co-O-Te","density":4.9484644702621985,"density_atomic":0.08216579320189477,"volume":486.82059092052424,"volume_molar":7.329255308474438,"formula_full":"Ca8 Co4 Te4 O24","formula_reduced":"Ca2CoTeO6","formula_anonymous":"ABC2D6","energy":-270.0923017,"energy_per_atom":-6.7523075425000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-247.0523017,"band_gap":2.0668,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0004845,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.040000Z","spacegroup":14},{"id":"mp-1192175","created_at":"2022-09-04T14:46:53.801979Z","structure_string":"Rh8 Se16\n1.0\n3.789183 0.000000 0.000000\n0.000000 6.028960 0.000000\n0.000000 0.000000 21.222951\nRh Se\n8 16\ndirect\n0.250000 0.072342 0.575892 Rh\n0.250000 0.427658 0.075892 Rh\n0.750000 0.927658 0.424108 Rh\n0.750000 0.572342 0.924108 Rh\n0.250000 0.056183 0.805285 Rh\n0.250000 0.443817 0.305285 Rh\n0.750000 0.943817 0.194715 Rh\n0.750000 0.556183 0.694715 Rh\n0.250000 0.428318 0.860345 Se\n0.250000 0.071682 0.360345 Se\n0.750000 0.571682 0.139655 Se\n0.750000 0.928318 0.639655 Se\n0.750000 0.178578 0.737012 Se\n0.750000 0.321422 0.237012 Se\n0.250000 0.821422 0.262988 Se\n0.250000 0.678578 0.762988 Se\n0.750000 0.952501 0.878615 Se\n0.750000 0.547499 0.378615 Se\n0.250000 0.047499 0.121385 Se\n0.250000 0.452501 0.621385 Se\n0.750000 0.223623 0.508313 Se\n0.750000 0.276377 0.008313 Se\n0.250000 0.776377 0.491687 Se\n0.250000 0.723623 0.991687 Se\n","nsites":24,"nelements":2,"elements":["Rh","Se"],"chemical_system":"Rh-Se","density":7.146532597634877,"density_atomic":0.04950140066491792,"volume":484.8347658374243,"volume_molar":12.165596688394203,"formula_full":"Rh8 Se16","formula_reduced":"RhSe2","formula_anonymous":"AB2","energy":-132.66754259,"energy_per_atom":-5.527814274583334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.11554259,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001799,"is_theoretical":false,"updated_at":"2021-11-28T01:37:37.558000Z","spacegroup":62},{"id":"mp-1029321","created_at":"2022-09-04T14:46:53.805317Z","structure_string":"Te4 Mo2 W2 Se4\n1.0\n1.718897 -2.977217 0.000000\n1.718897 2.977217 0.000000\n0.000000 0.000000 39.089638\nTe Mo W Se\n4 2 2 4\ndirect\n0.000000 0.000000 0.705241 Te\n0.333333 0.666667 0.046503 Te\n0.333333 0.666667 0.141342 Te\n0.000000 0.000000 0.609817 Te\n0.000000 0.000000 0.093911 Mo\n0.000000 0.000000 0.469643 Mo\n0.333333 0.666667 0.281797 W\n0.333333 0.666667 0.657554 W\n0.000000 0.000000 0.323782 Se\n0.333333 0.666667 0.427803 Se\n0.333333 0.666667 0.511495 Se\n0.000000 0.000000 0.239861 Se\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":5.75171907976824,"density_atomic":0.029993645769068013,"volume":400.0847410278952,"volume_molar":20.07805521998443,"formula_full":"Te4 Mo2 W2 Se4","formula_reduced":"Te2MoWSe2","formula_anonymous":"ABC2D2","energy":-82.15174934,"energy_per_atom":-6.845979111666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.57574934,"band_gap":2.0943,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0012379,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.312000Z","spacegroup":156},{"id":"mp-1225480","created_at":"2022-09-04T14:46:53.806504Z","structure_string":"K8 Ti4 C16 O45\n1.0\n-9.932963 0.000000 0.000000\n2.224169 11.061906 0.000000\n-0.657854 -4.389024 -10.811336\nK Ti C O\n8 4 16 45\ndirect\n0.732111 0.464276 0.225491 K\n0.269925 0.552975 0.782110 K\n0.001199 0.005989 0.008234 K\n0.084167 0.374963 0.055336 K\n0.920284 0.632796 0.951458 K\n0.323017 0.206932 0.247042 K\n0.687981 0.792036 0.747439 K\n0.976055 0.096749 0.615516 K\n0.335824 0.808107 0.535949 Ti\n0.665186 0.191365 0.463934 Ti\n0.456629 0.896983 0.279852 Ti\n0.544116 0.101527 0.720431 Ti\n0.251135 0.708720 0.101560 C\n0.750382 0.291946 0.899558 C\n0.140984 0.766159 0.720850 C\n0.853986 0.236521 0.277716 C\n0.674318 0.833550 0.088005 C\n0.327511 0.166801 0.912614 C\n0.214059 0.844964 0.132683 C\n0.788379 0.155820 0.868322 C\n0.266375 0.536082 0.351305 C\n0.734910 0.462898 0.652582 C\n0.419305 0.562500 0.396592 C\n0.580905 0.435957 0.606327 C\n0.084604 0.856156 0.669555 C\n0.916367 0.149915 0.329210 C\n0.692356 0.773621 0.187346 C\n0.305034 0.220286 0.809876 C\n0.110153 0.857564 0.089599 O\n0.896060 0.144458 0.906902 O\n0.614882 0.810994 0.282351 O\n0.388919 0.190635 0.718939 O\n0.087703 0.743387 0.810534 O\n0.905673 0.261317 0.188397 O\n0.356413 0.712949 0.162708 O\n0.644457 0.286866 0.838981 O\n0.770946 0.696415 0.169013 O\n0.214669 0.285191 0.820417 O\n0.209715 0.636127 0.403427 O\n0.792346 0.363741 0.598300 O\n0.491907 0.480018 0.347795 O\n0.508720 0.518748 0.655093 O\n0.225231 0.182993 0.500774 O\n0.759446 0.889923 0.521455 O\n0.566575 0.884685 0.106857 O\n0.435744 0.116329 0.894069 O\n0.976780 0.896816 0.708470 O\n0.024208 0.111862 0.289755 O\n0.758247 0.825721 0.003411 O\n0.245475 0.177456 0.998898 O\n0.456797 0.675284 0.484824 O\n0.542674 0.323115 0.518790 O\n0.454706 0.930114 0.655195 O\n0.544410 0.070622 0.347789 O\n0.304165 0.940134 0.207301 O\n0.699625 0.059749 0.793227 O\n0.010704 0.582070 0.288920 O\n0.016238 0.367748 0.680325 O\n0.374142 0.873471 0.413006 O\n0.632135 0.124508 0.588415 O\n0.182199 0.609299 0.022688 O\n0.822481 0.391641 0.975042 O\n0.544326 0.170189 0.082067 O\n0.463056 0.827852 0.915640 O\n0.162151 0.884317 0.586635 O\n0.842678 0.125181 0.416789 O\n0.215244 0.428215 0.273384 O\n0.783178 0.569759 0.732988 O\n0.246036 0.723062 0.661131 O\n0.748008 0.276950 0.337895 O\n0.215274 0.298764 0.537938 O\n0.487569 0.473794 0.037642 O\n0.509533 0.524572 0.960232 O\n","nsites":73,"nelements":4,"elements":["K","Ti","C","O"],"chemical_system":"C-K-O-Ti","density":1.9799145176169408,"density_atomic":0.06145181492726221,"volume":1187.9226038548554,"volume_molar":9.799776893698162,"formula_full":"K8 Ti4 C16 O45","formula_reduced":"K8Ti4C16O45","formula_anonymous":"A4B8C16D45","energy":-514.13715341,"energy_per_atom":-7.042974704246575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-506.89215341,"band_gap":0.3584,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.839000Z","spacegroup":1},{"id":"mp-10860","created_at":"2022-09-04T14:46:53.823579Z","structure_string":"Ce1 Ni2 B2 C1\n1.0\n-1.815308 1.815308 5.093027\n1.815308 -1.815308 5.093027\n1.815308 1.815308 -5.093027\nCe Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.353031 0.353031 0.000000 B\n0.646969 0.646969 0.000000 B\n0.500000 0.500000 0.000000 C\n","nsites":6,"nelements":4,"elements":["Ce","Ni","B","C"],"chemical_system":"B-C-Ce-Ni","density":7.2012460397272235,"density_atomic":0.08937470829964035,"volume":67.13308624050798,"volume_molar":6.738081583225971,"formula_full":"Ce1 Ni2 B2 C1","formula_reduced":"CeNi2B2C","formula_anonymous":"ABC2D2","energy":-42.97030742,"energy_per_atom":-7.161717903333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.97030742,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1608578,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.367000Z","spacegroup":139},{"id":"mp-26684","created_at":"2022-09-04T14:46:53.803120Z","structure_string":"Li6 Cr4 P10 O36\n1.0\n6.467339 0.000000 0.000000\n-0.245237 9.443105 0.000000\n-0.484926 -1.107346 10.443772\nLi Cr P O\n6 4 10 36\ndirect\n0.005940 0.058425 0.868394 Li\n0.994060 0.941575 0.131606 Li\n0.867857 0.780537 0.335855 Li\n0.454270 0.725730 0.399051 Li\n0.545730 0.274270 0.600949 Li\n0.132143 0.219463 0.664145 Li\n0.324256 0.777119 0.950746 Cr\n0.767553 0.640481 0.593638 Cr\n0.232447 0.359519 0.406362 Cr\n0.675744 0.222881 0.049254 Cr\n0.272624 0.591414 0.645306 P\n0.181695 0.580175 0.173888 P\n0.830026 0.727650 0.897305 P\n0.766327 0.975728 0.600707 P\n0.478642 0.045178 0.799462 P\n0.233673 0.024272 0.399293 P\n0.169974 0.272350 0.102695 P\n0.818305 0.419825 0.826112 P\n0.727376 0.408586 0.354694 P\n0.521358 0.954822 0.200538 P\n0.368684 0.237838 0.037773 O\n0.575482 0.943413 0.687070 O\n0.336037 0.921506 0.102244 O\n0.037784 0.978000 0.317004 O\n0.962216 0.022000 0.682996 O\n0.663963 0.078494 0.897756 O\n0.424518 0.056587 0.312930 O\n0.689662 0.049934 0.150077 O\n0.712808 0.102399 0.528358 O\n0.396333 0.173065 0.741617 O\n0.218857 0.168668 0.482012 O\n0.986623 0.180351 0.037619 O\n0.189198 0.251378 0.244811 O\n0.996029 0.321769 0.803175 O\n0.900998 0.568781 0.905617 O\n0.667297 0.364632 0.919306 O\n0.930669 0.360058 0.419286 O\n0.538543 0.345228 0.420476 O\n0.271885 0.427363 0.601084 O\n0.287192 0.897601 0.471642 O\n0.719937 0.459994 0.696737 O\n0.099002 0.431219 0.094383 O\n0.310338 0.950066 0.849923 O\n0.280063 0.540006 0.303263 O\n0.289787 0.632824 0.789906 O\n0.728115 0.572637 0.398916 O\n0.461457 0.654772 0.579524 O\n0.069331 0.639942 0.580714 O\n0.332703 0.635368 0.080694 O\n0.631316 0.762162 0.962227 O\n0.003971 0.678231 0.196825 O\n0.810802 0.748622 0.755189 O\n0.013377 0.819649 0.962381 O\n0.781143 0.831332 0.517988 O\n0.603667 0.826935 0.258383 O\n0.710213 0.367176 0.210094 O\n","nsites":56,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.955831448274489,"density_atomic":0.0877991274969383,"volume":637.8195501083176,"volume_molar":6.8589984111288596,"formula_full":"Li6 Cr4 P10 O36","formula_reduced":"Li3Cr2P5O18","formula_anonymous":"A2B3C5D18","energy":-421.92070283,"energy_per_atom":-7.5342982648214285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.19270283,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.1374032,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.248000Z","spacegroup":2},{"id":"mp-556254","created_at":"2022-09-04T14:46:53.838390Z","structure_string":"K16 Pt8 S20 O80\n1.0\n9.966285 0.000000 0.000000\n-2.939271 13.329363 0.000000\n-1.590365 -3.409525 14.697336\nK Pt S O\n16 8 20 80\ndirect\n0.138075 0.687754 0.275469 K\n0.044579 0.622474 0.938868 K\n0.418012 0.890148 0.057439 K\n0.880714 0.955714 0.686585 K\n0.371509 0.418185 0.655797 K\n0.330324 0.795786 0.685418 K\n0.628491 0.581815 0.344203 K\n0.861925 0.312246 0.724531 K\n0.762968 0.849009 0.272316 K\n0.581988 0.109852 0.942561 K\n0.955421 0.377526 0.061132 K\n0.119286 0.044286 0.313415 K\n0.690638 0.653127 0.691636 K\n0.237032 0.150991 0.727684 K\n0.669676 0.204214 0.314582 K\n0.309362 0.346873 0.308364 K\n0.989477 0.585689 0.484607 Pt\n0.618149 0.058777 0.504549 Pt\n0.381851 0.941223 0.495451 Pt\n0.514113 0.585129 0.976762 Pt\n0.894882 0.930647 0.956746 Pt\n0.105118 0.069353 0.043254 Pt\n0.010523 0.414311 0.515393 Pt\n0.485887 0.414871 0.023238 Pt\n0.572815 0.790504 0.877270 S\n0.949123 0.413499 0.307851 S\n0.640510 0.428082 0.855290 S\n0.377541 0.170601 0.492493 S\n0.534037 0.050217 0.692825 S\n0.234948 0.421628 0.886314 S\n0.427185 0.209496 0.122730 S\n0.765052 0.578372 0.113686 S\n0.465963 0.949783 0.307175 S\n0.931597 0.142601 0.898196 S\n0.359490 0.571918 0.144710 S\n0.291855 0.551998 0.490588 S\n0.160983 0.930792 0.868524 S\n0.050877 0.586501 0.692149 S\n0.958975 0.166713 0.530778 S\n0.839017 0.069208 0.131476 S\n0.622459 0.829399 0.507507 S\n0.041025 0.833287 0.469222 S\n0.068403 0.857399 0.101804 S\n0.708145 0.448002 0.509412 S\n0.282827 0.370356 0.962071 O\n0.578762 0.524326 0.858667 O\n0.353069 0.601221 0.584506 O\n0.983501 0.122147 0.609913 O\n0.421238 0.475674 0.141333 O\n0.084987 0.482859 0.649431 O\n0.006086 0.885879 0.553316 O\n0.503557 0.720979 0.790284 O\n0.793806 0.055443 0.217373 O\n0.812365 0.391508 0.546568 O\n0.939187 0.347006 0.380596 O\n0.034178 0.177831 0.988484 O\n0.998655 0.902371 0.848878 O\n0.505392 0.120189 0.769957 O\n0.494608 0.879811 0.230043 O\n0.152153 0.781985 0.101655 O\n0.965822 0.822169 0.011516 O\n0.463449 0.109706 0.104499 O\n0.463727 0.257566 0.043108 O\n0.599184 0.970659 0.714021 O\n0.610051 0.999509 0.368730 O\n0.496443 0.279021 0.209716 O\n0.271113 0.195653 0.126375 O\n0.374953 0.216532 0.586955 O\n0.207815 0.038775 0.934574 O\n0.808510 0.176566 0.515839 O\n0.995006 0.871616 0.179548 O\n0.838710 0.360029 0.233098 O\n0.785394 0.457441 0.898175 O\n0.792185 0.961225 0.065426 O\n0.705958 0.943775 0.531821 O\n0.400816 0.029341 0.285979 O\n0.001345 0.097629 0.151122 O\n0.625047 0.783468 0.413045 O\n0.528652 0.172094 0.475231 O\n0.214606 0.542559 0.101825 O\n0.449713 0.644571 0.095155 O\n0.536551 0.890294 0.895501 O\n0.609886 0.456893 0.572961 O\n0.171009 0.960325 0.100000 O\n0.060813 0.652994 0.619404 O\n0.790546 0.560967 0.514151 O\n0.004994 0.128384 0.820452 O\n0.319260 0.219772 0.426163 O\n0.374608 0.882070 0.359997 O\n0.646931 0.398779 0.415494 O\n0.471348 0.827906 0.524769 O\n0.728887 0.804347 0.873625 O\n0.625392 0.117930 0.640003 O\n0.383145 0.624230 0.240282 O\n0.993914 0.114121 0.446684 O\n0.735767 0.629766 0.200759 O\n0.389949 0.000491 0.631270 O\n0.828991 0.039675 0.900000 O\n0.088119 0.433636 0.282900 O\n0.550287 0.355429 0.904845 O\n0.390114 0.543107 0.427039 O\n0.915013 0.517141 0.350569 O\n0.536273 0.742434 0.956892 O\n0.043883 0.279088 0.560889 O\n0.209726 0.854325 0.908364 O\n0.616855 0.375770 0.759718 O\n0.688034 0.462648 0.087976 O\n0.912145 0.581505 0.112039 O\n0.294042 0.056225 0.468179 O\n0.087855 0.418495 0.887961 O\n0.311966 0.537352 0.912024 O\n0.209454 0.439033 0.485849 O\n0.956117 0.720912 0.439111 O\n0.680740 0.780228 0.573837 O\n0.790274 0.145675 0.091636 O\n0.191490 0.823434 0.484161 O\n0.187635 0.608492 0.453432 O\n0.016499 0.877853 0.390087 O\n0.161290 0.639971 0.766902 O\n0.264233 0.370234 0.799241 O\n0.911881 0.566364 0.717100 O\n0.847847 0.218015 0.898345 O\n0.206194 0.944557 0.782627 O\n0.717173 0.629644 0.037929 O\n","nsites":124,"nelements":4,"elements":["K","Pt","S","O"],"chemical_system":"K-O-Pt-S","density":3.4933734144517663,"density_atomic":0.0635097443802323,"volume":1952.456291708766,"volume_molar":9.482231142272427,"formula_full":"K16 Pt8 S20 O80","formula_reduced":"K4Pt2(SO4)5","formula_anonymous":"A2B4C5D20","energy":-778.5536592000001,"energy_per_atom":-6.278658541935484,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-723.5936592,"band_gap":1.7050999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004073,"is_theoretical":false,"updated_at":"2021-11-28T01:37:42.670000Z","spacegroup":2},{"id":"mp-698210","created_at":"2022-09-04T14:46:53.904767Z","structure_string":"Rb1 Co1 H24 C14 N8\n1.0\n-4.462970 4.462970 6.196229\n4.462970 -4.462970 6.196229\n4.462970 4.462970 -6.196229\nRb Co H C N\n1 1 24 14 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Co\n0.021062 0.340112 0.776744 H\n0.563368 0.244318 0.223256 H\n0.244318 0.021062 0.680950 H\n0.340112 0.563368 0.319050 H\n0.978938 0.659888 0.223256 H\n0.436632 0.755682 0.776744 H\n0.755682 0.978938 0.319050 H\n0.659888 0.436632 0.680950 H\n0.006749 0.445606 0.644528 H\n0.801077 0.362221 0.355472 H\n0.362221 0.006749 0.561144 H\n0.445606 0.801077 0.438856 H\n0.993251 0.554394 0.355472 H\n0.198923 0.637779 0.644528 H\n0.637779 0.993251 0.438856 H\n0.554394 0.198923 0.561144 H\n0.916357 0.513430 0.799758 H\n0.713672 0.116599 0.200242 H\n0.116599 0.916357 0.402927 H\n0.513430 0.713672 0.597073 H\n0.083643 0.486570 0.200242 H\n0.286328 0.883401 0.799758 H\n0.883401 0.083643 0.597073 H\n0.486570 0.286328 0.402927 H\n0.848454 0.848454 0.000000 C\n0.151546 0.151546 0.000000 C\n0.168513 0.872111 0.040624 C\n0.831487 0.127889 0.959376 C\n0.127889 0.168513 0.296402 C\n0.872111 0.831487 0.703598 C\n0.937107 0.397866 0.694191 C\n0.703675 0.242916 0.305809 C\n0.242916 0.937107 0.539241 C\n0.397866 0.703675 0.460759 C\n0.062893 0.602134 0.305809 C\n0.296325 0.757084 0.694191 C\n0.757084 0.062893 0.460759 C\n0.602134 0.296325 0.539241 C\n0.753658 0.753658 0.000000 N\n0.246342 0.246342 0.000000 N\n0.272013 0.790918 0.062932 N\n0.727987 0.209082 0.937068 N\n0.209082 0.272013 0.481095 N\n0.790918 0.727987 0.518905 N\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n","nsites":48,"nelements":5,"elements":["Rb","Co","H","C","N"],"chemical_system":"C-Co-H-N-Rb","density":1.5095992706463317,"density_atomic":0.09723124594928345,"volume":493.668465639504,"volume_molar":6.19362706011316,"formula_full":"Rb1 Co1 H24 C14 N8","formula_reduced":"RbCoH24(C7N4)2","formula_anonymous":"ABC8D14E24","energy":-289.51943422,"energy_per_atom":-6.031654879583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.63143422,"band_gap":4.2736,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002884,"is_theoretical":false,"updated_at":"2021-11-28T01:37:40.426000Z","spacegroup":87},{"id":"mp-1095550","created_at":"2022-09-04T14:46:53.913516Z","structure_string":"Ho4 As4 Pt4\n1.0\n2.137178 -3.701701 0.000000\n2.137178 3.701701 0.000000\n0.000000 0.000000 15.513971\nHo As Pt\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n0.000000 0.000000 0.250000 Ho\n0.000000 0.000000 0.750000 Ho\n0.333333 0.666667 0.883902 As\n0.666667 0.333333 0.116098 As\n0.666667 0.333333 0.383902 As\n0.333333 0.666667 0.616098 As\n0.333333 0.666667 0.364712 Pt\n0.666667 0.333333 0.635288 Pt\n0.666667 0.333333 0.864712 Pt\n0.333333 0.666667 0.135288 Pt\n","nsites":12,"nelements":3,"elements":["Ho","As","Pt"],"chemical_system":"As-Ho-Pt","density":11.768994579136946,"density_atomic":0.048886195913916956,"volume":245.46806671418327,"volume_molar":12.318693748649018,"formula_full":"Ho4 As4 Pt4","formula_reduced":"HoAsPt","formula_anonymous":"ABC","energy":-75.59247767,"energy_per_atom":-6.299373139166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.59247767,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.010142,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.348000Z","spacegroup":194}]}