{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10150","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10148","results":[{"id":"mp-1247257","created_at":"2022-09-04T14:43:15.130821Z","structure_string":"In3 C24 N18\n1.0\n13.204790 0.024066 -0.003812\n-6.581553 11.399584 0.007624\n-0.001174 0.002034 5.701589\nIn C N\n3 24 18\ndirect\n0.000000 0.997677 0.350830 In\n0.334745 0.667796 0.814756 In\n0.665255 0.333051 0.814756 In\n0.000000 0.631756 0.217884 C\n0.633965 0.001007 0.211495 C\n0.366035 0.367042 0.211495 C\n0.000000 0.711856 0.382281 C\n0.715941 0.000154 0.369350 C\n0.284059 0.284214 0.369350 C\n0.103844 0.643165 0.131245 C\n0.538105 0.897738 0.131828 C\n0.357492 0.462957 0.134469 C\n0.896156 0.539321 0.131245 C\n0.642508 0.105467 0.134469 C\n0.461895 0.359632 0.131828 C\n0.668591 0.667641 0.739107 C\n0.000000 0.329129 0.739618 C\n0.331409 0.999049 0.739107 C\n0.752233 0.751269 0.895180 C\n0.000000 0.244798 0.894716 C\n0.247767 0.999036 0.895180 C\n0.574268 0.679918 0.667567 C\n0.105682 0.424982 0.669479 C\n0.319550 0.892567 0.666706 C\n0.425732 0.105651 0.667567 C\n0.680450 0.573016 0.666706 C\n0.894318 0.319301 0.669479 C\n0.000000 0.778537 0.518526 N\n0.783567 0.999774 0.502111 N\n0.216433 0.216206 0.502111 N\n0.189236 0.648286 0.058447 N\n0.453243 0.814155 0.066602 N\n0.356657 0.547525 0.072113 N\n0.810764 0.459050 0.058447 N\n0.643343 0.190868 0.072113 N\n0.546757 0.360913 0.066602 N\n0.819646 0.818915 0.028011 N\n0.000000 0.176406 0.026090 N\n0.180354 0.999269 0.028011 N\n0.495722 0.692972 0.608354 N\n0.196019 0.505765 0.612409 N\n0.306823 0.800996 0.607079 N\n0.504278 0.197250 0.608354 N\n0.693177 0.494173 0.607079 N\n0.803981 0.309746 0.612409 N\n","nsites":45,"nelements":3,"elements":["In","C","N"],"chemical_system":"C-In-N","density":1.7101593478522215,"density_atomic":0.05237686121061843,"volume":859.1580129066057,"volume_molar":11.497712197345503,"formula_full":"In3 C24 N18","formula_reduced":"In(C4N3)2","formula_anonymous":"AB6C8","energy":-365.27042282,"energy_per_atom":-8.117120507111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-358.77242282,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5740099,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.471000Z","spacegroup":8},{"id":"mp-1205476","created_at":"2022-09-04T14:43:15.117726Z","structure_string":"Na6 V2 H22 I2 O26\n1.0\n-0.011796 -0.069784 -6.306327\n-2.927389 -8.434555 -1.361312\n-11.391681 -0.037403 -1.195207\nNa V H I O\n6 2 22 2 26\ndirect\n0.325762 0.927062 0.840290 Na\n0.674238 0.072938 0.159710 Na\n0.398686 0.524752 0.147427 Na\n0.601314 0.475248 0.852573 Na\n0.421856 0.768119 0.573670 Na\n0.578144 0.231880 0.426330 Na\n0.948189 0.823853 0.462066 V\n0.051811 0.176147 0.537934 V\n0.293598 0.865204 0.296530 H\n0.706402 0.134796 0.703470 H\n0.554412 0.815619 0.064521 H\n0.445588 0.184381 0.935479 H\n0.876344 0.840929 0.006076 H\n0.123656 0.159071 0.993924 H\n0.885921 0.751358 0.150019 H\n0.114079 0.248642 0.849981 H\n0.191057 0.408896 0.010745 H\n0.808943 0.591104 0.989255 H\n0.005244 0.481654 0.292413 H\n0.994756 0.518346 0.707587 H\n0.073719 0.628563 0.319758 H\n0.926281 0.371437 0.680242 H\n0.314653 0.864170 0.095283 H\n0.685347 0.135830 0.904717 H\n0.151620 0.590306 0.925099 H\n0.848380 0.409694 0.074901 H\n0.354782 0.434330 0.645760 H\n0.645218 0.565670 0.354240 H\n0.398870 0.576931 0.381544 H\n0.601130 0.423069 0.618456 H\n0.849356 0.861833 0.721256 I\n0.150644 0.138167 0.278744 I\n0.025332 0.723538 0.641205 O\n0.974668 0.276462 0.358795 O\n0.673263 0.034447 0.772470 O\n0.326737 0.965553 0.227530 O\n0.959527 0.761601 0.876758 O\n0.040473 0.238399 0.123242 O\n0.784881 0.979493 0.550326 O\n0.215119 0.020507 0.449674 O\n0.086181 0.992098 0.683830 O\n0.913819 0.007902 0.316170 O\n0.611089 0.758163 0.753003 O\n0.388911 0.241837 0.246997 O\n0.747395 0.733524 0.450425 O\n0.252605 0.266476 0.549575 O\n0.180715 0.724437 0.413173 O\n0.819285 0.275563 0.586827 O\n0.406483 0.802421 0.049267 O\n0.593517 0.197579 0.950733 O\n0.813308 0.847777 0.087324 O\n0.186692 0.152223 0.912676 O\n0.264120 0.502169 0.964803 O\n0.735880 0.497831 0.035197 O\n0.480159 0.480060 0.655084 O\n0.519841 0.519940 0.344916 O\n0.039113 0.592099 0.252299 O\n0.960887 0.407901 0.747701 O\n","nsites":58,"nelements":5,"elements":["Na","V","H","I","O"],"chemical_system":"H-I-Na-O-V","density":2.5604862464151963,"density_atomic":0.0959806016595006,"volume":604.2887729101758,"volume_molar":6.274331120953024,"formula_full":"Na6 V2 H22 I2 O26","formula_reduced":"Na3VH11IO13","formula_anonymous":"ABC3D11E13","energy":-318.72245106,"energy_per_atom":-5.4952146734482765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-297.46045106,"band_gap":2.5564,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012092,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.510000Z","spacegroup":2},{"id":"mp-559445","created_at":"2022-09-04T14:43:15.134229Z","structure_string":"V4 O8\n1.0\n6.753494 0.000000 0.000000\n0.000000 4.871231 0.000000\n0.000000 0.901194 8.691221\nV O\n4 8\ndirect\n0.000000 0.633438 0.799614 V\n0.000000 0.366562 0.200386 V\n0.163552 0.000000 0.000000 V\n0.836448 0.000000 0.000000 V\n0.000000 0.250905 0.865288 O\n0.000000 0.749095 0.134712 O\n0.758157 0.245242 0.132422 O\n0.758157 0.754758 0.867578 O\n0.241843 0.754758 0.867578 O\n0.241843 0.245242 0.132422 O\n0.000000 0.302652 0.384805 O\n0.000000 0.697348 0.615195 O\n","nsites":12,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":1.9267557077022797,"density_atomic":0.04196944339214963,"volume":285.92230513699394,"volume_molar":14.348869732988739,"formula_full":"V4 O8","formula_reduced":"VO2","formula_anonymous":"AB2","energy":-99.72476892,"energy_per_atom":-8.31039741,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.42876892,"band_gap":1.1153000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001287,"is_theoretical":false,"updated_at":"2021-11-28T01:36:10.153000Z","spacegroup":10},{"id":"mp-19062","created_at":"2022-09-04T14:43:15.145729Z","structure_string":"Nd1 Cr1 O3\n1.0\n3.901910 0.000000 0.000000\n0.000000 3.901910 0.000000\n0.000000 0.000000 3.901910\nNd Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Nd","Cr","O"],"chemical_system":"Cr-Nd-O","density":6.826963263257871,"density_atomic":0.08416630482220619,"volume":59.40619598973787,"volume_molar":7.15504948532698,"formula_full":"Nd1 Cr1 O3","formula_reduced":"NdCrO3","formula_anonymous":"ABC3","energy":-44.25871327,"energy_per_atom":-8.851742654,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.19871327,"band_gap":1.9338,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9999891,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.336000Z","spacegroup":221},{"id":"mp-1201047","created_at":"2022-09-04T14:43:15.147149Z","structure_string":"Dy16 B4 Cl4 O28\n1.0\n8.072111 0.000000 0.000000\n0.000000 8.663136 0.000000\n0.000000 6.229338 10.655984\nDy B Cl O\n16 4 4 28\ndirect\n0.626310 0.797987 0.220425 Dy\n0.873690 0.797987 0.720425 Dy\n0.373690 0.202013 0.779575 Dy\n0.126310 0.202013 0.279575 Dy\n0.617420 0.422546 0.910463 Dy\n0.882580 0.422546 0.410463 Dy\n0.382580 0.577454 0.089537 Dy\n0.117420 0.577454 0.589537 Dy\n0.637878 0.570828 0.580749 Dy\n0.862122 0.570828 0.080749 Dy\n0.362122 0.429172 0.419251 Dy\n0.137878 0.429172 0.919251 Dy\n0.614726 0.182835 0.279094 Dy\n0.885274 0.182835 0.779094 Dy\n0.385274 0.817165 0.720906 Dy\n0.114726 0.817165 0.220906 Dy\n0.870956 0.869926 0.412994 B\n0.629044 0.869926 0.912994 B\n0.129044 0.130074 0.587006 B\n0.370956 0.130074 0.087006 B\n0.854980 0.118072 0.032683 Cl\n0.645020 0.118072 0.532683 Cl\n0.145020 0.881928 0.967317 Cl\n0.354980 0.881928 0.467317 Cl\n0.622222 0.542018 0.402937 O\n0.877778 0.542018 0.902937 O\n0.377778 0.457982 0.597063 O\n0.122222 0.457982 0.097063 O\n0.636948 0.308521 0.775795 O\n0.863052 0.308521 0.275795 O\n0.363052 0.691479 0.224205 O\n0.136948 0.691479 0.724205 O\n0.617023 0.677575 0.718421 O\n0.882977 0.677575 0.218421 O\n0.382977 0.322425 0.281579 O\n0.117023 0.322425 0.781579 O\n0.622444 0.429430 0.092583 O\n0.877556 0.429430 0.592583 O\n0.377556 0.570570 0.907417 O\n0.122444 0.570570 0.407417 O\n0.888338 0.775526 0.542636 O\n0.611662 0.775526 0.042636 O\n0.111662 0.224474 0.457364 O\n0.388338 0.224474 0.957364 O\n0.008117 0.933160 0.336782 O\n0.491883 0.933160 0.836782 O\n0.991883 0.066840 0.663218 O\n0.508117 0.066840 0.163218 O\n0.714546 0.888013 0.363517 O\n0.785454 0.888013 0.863517 O\n0.285454 0.111987 0.636483 O\n0.214546 0.111987 0.136483 O\n","nsites":52,"nelements":4,"elements":["Dy","B","Cl","O"],"chemical_system":"B-Cl-Dy-O","density":7.204506715785218,"density_atomic":0.06978266101192038,"volume":745.1707809066966,"volume_molar":8.62985256319086,"formula_full":"Dy16 B4 Cl4 O28","formula_reduced":"Dy4BClO7","formula_anonymous":"ABC4D7","energy":-440.48648651,"energy_per_atom":-8.470893971346154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-418.79448651,"band_gap":4.7369,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:06.738000Z","spacegroup":14},{"id":"mp-1204564","created_at":"2022-09-04T14:43:15.165411Z","structure_string":"Na8 Np2 H14 O18\n1.0\n6.041974 0.000000 0.000000\n-2.238160 7.859933 0.000000\n-2.218714 -3.435600 10.209869\nNa Np H O\n8 2 14 18\ndirect\n0.791905 0.534824 0.585113 Na\n0.208095 0.465176 0.414887 Na\n0.944938 0.661168 0.924063 Na\n0.055062 0.338832 0.075937 Na\n0.474554 0.277961 0.904774 Na\n0.525446 0.722039 0.095226 Na\n0.392691 0.149940 0.578090 Na\n0.607309 0.850060 0.421910 Na\n0.362895 0.586154 0.751629 Np\n0.637105 0.413846 0.248371 Np\n0.586445 0.822892 0.631499 H\n0.413555 0.177108 0.368501 H\n0.074980 0.361720 0.852762 H\n0.925020 0.638280 0.147238 H\n0.842697 0.174728 0.617759 H\n0.157303 0.825272 0.382241 H\n0.759015 0.111453 0.785911 H\n0.240985 0.888547 0.214089 H\n0.710934 0.015813 0.894131 H\n0.289066 0.984187 0.105869 H\n0.177416 0.930743 0.729714 H\n0.822584 0.069257 0.270286 H\n0.013763 0.044043 0.686981 H\n0.986237 0.955957 0.313019 H\n0.146972 0.721341 0.757973 O\n0.853028 0.278659 0.242027 O\n0.608052 0.774192 0.895349 O\n0.391948 0.225808 0.104651 O\n0.576193 0.445923 0.748500 O\n0.423807 0.554077 0.251500 O\n0.119023 0.395743 0.609389 O\n0.880977 0.604257 0.390611 O\n0.509180 0.691882 0.596902 O\n0.490820 0.308118 0.403098 O\n0.212350 0.468827 0.906208 O\n0.787650 0.531173 0.093792 O\n0.753376 0.069697 0.637519 O\n0.246624 0.930303 0.362481 O\n0.760297 0.135245 0.882761 O\n0.239703 0.864755 0.117239 O\n0.187341 0.047887 0.716515 O\n0.812659 0.952113 0.283485 O\n","nsites":42,"nelements":4,"elements":["Na","Np","H","O"],"chemical_system":"H-Na-Np-O","density":3.2878412519732114,"density_atomic":0.08662264177417868,"volume":484.8616844253273,"volume_molar":6.952155506523859,"formula_full":"Na8 Np2 H14 O18","formula_reduced":"Na4NpH7O9","formula_anonymous":"AB4C7D9","energy":-252.89864445,"energy_per_atom":-6.021396296428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.53264445,"band_gap":1.4425,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0222326,"is_theoretical":false,"updated_at":"2021-11-28T01:36:12.907000Z","spacegroup":2},{"id":"mp-25967","created_at":"2022-09-04T14:43:15.173338Z","structure_string":"Li6 Ni6 P6 O24\n1.0\n3.695888 -6.401465 0.000000\n3.695888 6.401465 0.000000\n0.000000 0.000000 9.465286\nLi Ni P O\n6 6 6 24\ndirect\n0.208758 0.949933 0.251136 Li\n0.050067 0.258825 0.251136 Li\n0.258825 0.050067 0.751136 Li\n0.741175 0.791242 0.251136 Li\n0.791242 0.741175 0.751136 Li\n0.949933 0.208758 0.751136 Li\n0.062488 0.592309 0.475544 Ni\n0.529820 0.937512 0.475544 Ni\n0.407691 0.470180 0.475544 Ni\n0.470180 0.407691 0.975544 Ni\n0.592309 0.062488 0.975544 Ni\n0.937512 0.529820 0.975544 Ni\n0.000000 0.000000 0.000770 P\n0.666667 0.333333 0.671774 P\n0.666667 0.333333 0.276325 P\n0.333333 0.666667 0.776325 P\n0.000000 0.000000 0.500770 P\n0.333333 0.666667 0.171774 P\n0.874801 0.101939 0.941537 O\n0.888809 0.394040 0.324674 O\n0.707808 0.158076 0.623207 O\n0.841924 0.549731 0.623207 O\n0.898061 0.772862 0.941537 O\n0.666667 0.333333 0.842489 O\n0.000000 0.000000 0.163237 O\n0.000000 0.000000 0.663237 O\n0.101939 0.874801 0.441537 O\n0.158076 0.707808 0.123207 O\n0.111191 0.505231 0.824674 O\n0.394040 0.888809 0.824674 O\n0.333333 0.666667 0.342489 O\n0.333333 0.666667 0.607011 O\n0.125199 0.227138 0.441537 O\n0.292192 0.450269 0.123207 O\n0.549731 0.841924 0.123207 O\n0.227138 0.125199 0.941537 O\n0.494769 0.605960 0.824674 O\n0.450269 0.292192 0.623207 O\n0.772862 0.898061 0.441537 O\n0.605960 0.494769 0.324674 O\n0.505231 0.111191 0.324674 O\n0.666667 0.333333 0.107011 O\n","nsites":42,"nelements":4,"elements":["Li","Ni","P","O"],"chemical_system":"Li-Ni-O-P","density":3.5727247306721757,"density_atomic":0.09377506557076917,"volume":447.88025200903627,"volume_molar":6.421899812434974,"formula_full":"Li6 Ni6 P6 O24","formula_reduced":"LiNiPO4","formula_anonymous":"ABCD4","energy":-294.54927099,"energy_per_atom":-7.013077880714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.81527099,"band_gap":3.5102999999999995,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0002838,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.213000Z","spacegroup":159},{"id":"mp-768089","created_at":"2022-09-04T14:43:15.132816Z","structure_string":"Na8 Ni4 P4 C4 O28\n1.0\n-6.638336 0.000000 0.000000\n0.090287 10.142022 0.000000\n-0.042164 -4.953568 -9.054060\nNa Ni P C O\n8 4 4 4 28\ndirect\n0.481736 0.264881 0.256023 Na\n0.015496 0.265329 0.255121 Na\n0.971669 0.740550 0.255942 Na\n0.736443 0.910695 0.067654 Na\n0.009070 0.251010 0.749510 Na\n0.491532 0.249233 0.747864 Na\n0.989770 0.738510 0.738268 Na\n0.513710 0.737230 0.734028 Na\n0.749003 0.351978 0.066223 Ni\n0.258635 0.651806 0.430842 Ni\n0.750445 0.350920 0.565841 Ni\n0.254994 0.650933 0.935916 Ni\n0.250387 0.424057 0.071929 P\n0.751242 0.581367 0.434588 P\n0.250488 0.422231 0.570337 P\n0.752473 0.578871 0.928053 P\n0.248437 0.926827 0.105675 C\n0.248456 0.926127 0.602620 C\n0.752576 0.076188 0.393768 C\n0.749438 0.070024 0.899205 C\n0.747130 0.135170 0.043717 O\n0.063207 0.325890 0.057788 O\n0.437783 0.330627 0.061371 O\n0.748380 0.432061 0.289041 O\n0.251285 0.457130 0.437469 O\n0.759401 0.542551 0.057767 O\n0.242341 0.573300 0.216901 O\n0.939999 0.675818 0.447197 O\n0.562884 0.676097 0.456909 O\n0.242330 0.829102 0.152067 O\n0.251646 0.826812 0.648585 O\n0.247944 0.868048 0.461038 O\n0.761807 0.938108 0.307208 O\n0.751987 0.927842 0.823964 O\n0.246170 0.066819 0.189193 O\n0.246822 0.064978 0.688973 O\n0.748660 0.136602 0.536711 O\n0.747273 0.174453 0.345691 O\n0.748857 0.160311 0.843925 O\n0.061956 0.326901 0.557046 O\n0.437416 0.328712 0.559253 O\n0.753483 0.426776 0.783584 O\n0.250049 0.457476 0.938809 O\n0.753510 0.545301 0.567748 O\n0.249755 0.573486 0.715632 O\n0.566798 0.673741 0.936649 O\n0.936430 0.679896 0.940889 O\n0.258852 0.866902 0.962339 O\n","nsites":48,"nelements":5,"elements":["Na","Ni","P","C","O"],"chemical_system":"C-Na-Ni-O-P","density":2.829277996529293,"density_atomic":0.07874338685636699,"volume":609.5749994543046,"volume_molar":7.647805105189053,"formula_full":"Na8 Ni4 P4 C4 O28","formula_reduced":"Na2NiPCO7","formula_anonymous":"ABCD2E7","energy":-330.01585197,"energy_per_atom":-6.875330249375001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-300.61585197,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9359805,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.203000Z","spacegroup":1},{"id":"mp-1047348","created_at":"2022-09-04T14:43:15.134770Z","structure_string":"Zn2 Ag4 O8\n1.0\n1.549134 -5.298739 0.000000\n1.549134 5.298739 0.000000\n0.000000 0.000000 9.971833\nZn Ag O\n2 4 8\ndirect\n0.609654 0.390346 0.750000 Zn\n0.390346 0.609654 0.250000 Zn\n0.130564 0.869436 0.072040 Ag\n0.869436 0.130564 0.927960 Ag\n0.130564 0.869436 0.427960 Ag\n0.869436 0.130564 0.572040 Ag\n0.787170 0.212830 0.379872 O\n0.212830 0.787170 0.620128 O\n0.212830 0.787170 0.879872 O\n0.787170 0.212830 0.120128 O\n0.024371 0.975629 0.250000 O\n0.975629 0.024371 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n","nsites":14,"nelements":3,"elements":["Zn","Ag","O"],"chemical_system":"Ag-O-Zn","density":7.001831523219124,"density_atomic":0.08551878646717945,"volume":163.7067196384147,"volume_molar":7.041892207288498,"formula_full":"Zn2 Ag4 O8","formula_reduced":"Zn(AgO2)2","formula_anonymous":"AB2C4","energy":-62.041198,"energy_per_atom":-4.431514142857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.545198000000006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000317,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.033000Z","spacegroup":63},{"id":"mp-1118943","created_at":"2022-09-04T14:43:15.136244Z","structure_string":"Cs12 Re8 N20\n1.0\n-7.053678 7.053678 4.911091\n7.053678 -7.053678 4.911091\n7.053678 7.053678 -4.911091\nCs Re N\n12 8 20\ndirect\n0.849592 0.548912 0.842057 Cs\n0.706855 0.007535 0.157943 Cs\n0.798912 0.456855 0.199320 Cs\n0.257535 0.599592 0.800680 Cs\n0.511846 0.693810 0.331052 Cs\n0.362759 0.180794 0.668948 Cs\n0.943810 0.112759 0.681965 Cs\n0.430794 0.261846 0.318035 Cs\n0.986036 0.986036 0.000000 Cs\n0.236036 0.736036 0.500000 Cs\n0.728602 0.228602 0.500000 Cs\n0.478602 0.478602 0.000000 Cs\n0.617613 0.043928 0.819165 Re\n0.224763 0.798448 0.180835 Re\n0.293928 0.974763 0.926316 Re\n0.048448 0.367613 0.073684 Re\n0.935359 0.760927 0.596350 Re\n0.164577 0.339009 0.403650 Re\n0.010927 0.914577 0.325569 Re\n0.589009 0.685359 0.674431 Re\n0.627666 0.152607 0.718385 N\n0.434222 0.909281 0.281615 N\n0.402607 0.184222 0.024942 N\n0.159281 0.377666 0.975058 N\n0.804719 0.785414 0.206770 N\n0.578645 0.597949 0.793230 N\n0.035414 0.328645 0.480695 N\n0.847949 0.554719 0.519305 N\n0.821081 0.191580 0.980092 N\n0.211488 0.840988 0.019908 N\n0.441580 0.961488 0.870500 N\n0.090988 0.571081 0.129500 N\n0.008946 0.876590 0.488503 N\n0.388087 0.520443 0.511497 N\n0.126590 0.138087 0.367644 N\n0.770443 0.758946 0.632356 N\n0.116546 0.881666 0.763968 N\n0.117698 0.352578 0.236032 N\n0.131666 0.867698 0.265120 N\n0.602578 0.866546 0.734880 N\n","nsites":40,"nelements":3,"elements":["Cs","Re","N"],"chemical_system":"Cs-N-Re","density":5.716371673934991,"density_atomic":0.04092519505627376,"volume":977.3930202409157,"volume_molar":14.71499586433081,"formula_full":"Cs12 Re8 N20","formula_reduced":"Cs3Re2N5","formula_anonymous":"A2B3C5","energy":-293.66204188,"energy_per_atom":-7.341551047,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.44204188,"band_gap":0.3266,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000324,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.986000Z","spacegroup":80},{"id":"mp-867822","created_at":"2022-09-04T14:43:15.136181Z","structure_string":"Li1 Y1 Au2\n1.0\n0.000000 3.445820 3.445820\n3.445820 0.000000 3.445820\n3.445820 3.445820 0.000000\nLi Y Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Li","Y","Au"],"chemical_system":"Au-Li-Y","density":9.938992798326492,"density_atomic":0.04888236770084831,"volume":81.82909683261073,"volume_molar":12.3196584847413,"formula_full":"Li1 Y1 Au2","formula_reduced":"LiYAu2","formula_anonymous":"ABC2","energy":-17.77307913,"energy_per_atom":-4.4432697825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.77307913,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006454,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.170000Z","spacegroup":225},{"id":"mp-1216792","created_at":"2022-09-04T14:43:15.143857Z","structure_string":"V11 Re1 B8\n1.0\n3.030276 0.000000 0.000000\n0.000000 5.751485 0.000000\n0.000000 0.001623 11.504321\nV Re B\n11 1 8\ndirect\n0.500000 0.827129 0.090791 V\n0.500000 0.822154 0.588384 V\n0.500000 0.172871 0.909209 V\n0.500000 0.177846 0.411616 V\n0.500000 0.680107 0.836261 V\n0.500000 0.678186 0.339020 V\n0.500000 0.319893 0.163739 V\n0.500000 0.321814 0.660980 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000258 0.748804 V\n0.000000 0.999742 0.251196 V\n0.000000 0.500000 0.000000 Re\n0.000000 0.388349 0.804526 B\n0.000000 0.388441 0.306719 B\n0.000000 0.611651 0.195474 B\n0.000000 0.611559 0.693281 B\n0.000000 0.111064 0.056106 B\n0.000000 0.110977 0.555389 B\n0.000000 0.888936 0.943894 B\n0.000000 0.889023 0.444611 B\n","nsites":20,"nelements":3,"elements":["V","Re","B"],"chemical_system":"B-Re-V","density":6.899184821477649,"density_atomic":0.09974860411043478,"volume":200.5040589626435,"volume_molar":6.037318330121894,"formula_full":"V11 Re1 B8","formula_reduced":"V11ReB8","formula_anonymous":"AB8C11","energy":-180.23497775000004,"energy_per_atom":-9.011748887500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.23497775000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003703,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.222000Z","spacegroup":10}]}