{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=36","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=34","results":[{"id":"mp-752596","created_at":"2022-09-04T14:39:06.834513Z","structure_string":"Yb4 Sm4 O12\n1.0\n5.883046 0.000000 0.000000\n0.000000 5.981304 0.000000\n0.000000 0.000000 8.430255\nYb Sm O\n4 4 12\ndirect\n0.499722 0.021590 0.733389 Yb\n0.999722 0.478410 0.233389 Yb\n0.000278 0.521590 0.733389 Yb\n0.500278 0.978410 0.233389 Yb\n0.999335 0.041674 0.464158 Sm\n0.499335 0.458326 0.964158 Sm\n0.500665 0.541674 0.464158 Sm\n0.000665 0.958326 0.964158 Sm\n0.638808 0.094448 0.991525 O\n0.140318 0.115195 0.196226 O\n0.208246 0.235329 0.839505 O\n0.708246 0.264671 0.339505 O\n0.640318 0.384805 0.696226 O\n0.138808 0.405552 0.491525 O\n0.861192 0.594448 0.991525 O\n0.359682 0.615195 0.196226 O\n0.291754 0.735329 0.839505 O\n0.791754 0.764671 0.339505 O\n0.859682 0.884805 0.696226 O\n0.361192 0.905552 0.491525 O\n","nsites":20,"nelements":3,"elements":["Yb","Sm","O"],"chemical_system":"O-Sm-Yb","density":8.315915194050714,"density_atomic":0.0674203750369584,"volume":296.646228814901,"volume_molar":8.932226729232509,"formula_full":"Yb4 Sm4 O12","formula_reduced":"YbSmO3","formula_anonymous":"ABC3","energy":-149.4130225,"energy_per_atom":-7.470651125000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.1690225,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0014211,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.068000Z","spacegroup":33},{"id":"mp-573855","created_at":"2022-09-04T14:39:06.557416Z","structure_string":"La14 Ni6\n1.0\n5.054702 -8.755001 0.000000\n5.054702 8.755001 0.000000\n0.000000 0.000000 6.468251\nLa Ni\n14 6\ndirect\n0.461800 0.538200 0.319996 La\n0.333333 0.666667 0.780585 La\n0.873504 0.126496 0.492119 La\n0.747008 0.873504 0.992119 La\n0.873504 0.747008 0.492119 La\n0.076399 0.538200 0.319996 La\n0.126496 0.873504 0.992119 La\n0.538200 0.076399 0.819996 La\n0.923601 0.461800 0.819996 La\n0.666667 0.333333 0.280585 La\n0.461800 0.923601 0.319996 La\n0.252992 0.126496 0.492119 La\n0.538200 0.461800 0.819996 La\n0.126496 0.252992 0.992119 La\n0.374430 0.187215 0.051357 Ni\n0.187215 0.812785 0.551357 Ni\n0.812785 0.625570 0.051357 Ni\n0.187215 0.374430 0.551357 Ni\n0.812785 0.187215 0.051357 Ni\n0.625570 0.812785 0.551357 Ni\n","nsites":20,"nelements":2,"elements":["La","Ni"],"chemical_system":"La-Ni","density":6.662092409389634,"density_atomic":0.034935050775207005,"volume":572.4909383613596,"volume_molar":17.238105073182954,"formula_full":"La14 Ni6","formula_reduced":"La7Ni3","formula_anonymous":"A3B7","energy":-108.3135858,"energy_per_atom":-5.41567929,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.3135858,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025352,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.962000Z","spacegroup":186},{"id":"mp-772389","created_at":"2022-09-04T14:39:06.562747Z","structure_string":"Ba18 Rh16 O54\n1.0\n10.124570 0.000000 0.000000\n5.020373 8.794071 0.000000\n1.734244 2.810928 14.863492\nBa Rh O\n18 16 54\ndirect\n0.016458 0.749259 0.759980 Ba\n0.322169 0.985452 0.078050 Ba\n0.338832 0.686097 0.926799 Ba\n0.008391 0.347869 0.920581 Ba\n0.649007 0.953759 0.259129 Ba\n0.332063 0.583333 0.254832 Ba\n0.673572 0.804054 0.575190 Ba\n0.340580 0.465378 0.581271 Ba\n0.005671 0.125979 0.591408 Ba\n0.659329 0.530873 0.418908 Ba\n0.327231 0.201731 0.421084 Ba\n0.991378 0.870464 0.416547 Ba\n0.706011 0.373687 0.761758 Ba\n0.329462 0.064224 0.758849 Ba\n0.661234 0.309237 0.090041 Ba\n0.988566 0.652135 0.077359 Ba\n0.677721 0.018391 0.919368 Ba\n0.960242 0.264092 0.260713 Ba\n0.004980 0.998915 0.986984 Rh\n0.312870 0.913873 0.321058 Rh\n0.333826 0.832114 0.499727 Rh\n0.999652 0.501718 0.499019 Rh\n0.364497 0.743765 0.676509 Rh\n0.017829 0.429001 0.675450 Rh\n0.332602 0.333036 0.999731 Rh\n0.666180 0.669971 0.998854 Rh\n0.685971 0.708043 0.818629 Rh\n0.353538 0.373002 0.820528 Rh\n0.987962 0.954120 0.173976 Rh\n0.305154 0.294239 0.177000 Rh\n0.647033 0.636152 0.176085 Rh\n0.979931 0.579752 0.320136 Rh\n0.663832 0.172544 0.488418 Rh\n0.678287 0.090052 0.674611 Rh\n0.007030 0.852551 0.925995 O\n0.224363 0.855692 0.762967 O\n0.136797 0.944118 0.254988 O\n0.009127 0.620437 0.586522 O\n0.346926 0.939179 0.595267 O\n0.194918 0.788509 0.595719 O\n0.148116 0.822823 0.086781 O\n0.523887 0.840264 0.899782 O\n0.194520 0.508418 0.901076 O\n0.472995 0.877049 0.404044 O\n0.143741 0.538619 0.403647 O\n0.325449 0.722495 0.403846 O\n0.699484 0.882048 0.735370 O\n0.206175 0.387465 0.736167 O\n0.023273 0.244086 0.744874 O\n0.554740 0.698690 0.734269 O\n0.386974 0.536764 0.737093 O\n0.460847 0.800451 0.229535 O\n0.120172 0.461020 0.228726 O\n0.820400 0.986308 0.576822 O\n0.500181 0.642919 0.570894 O\n0.159060 0.312544 0.577897 O\n0.166309 0.315814 0.077727 O\n0.848122 0.974790 0.082446 O\n0.657968 0.809365 0.077392 O\n0.323975 0.465209 0.085030 O\n0.506251 0.648372 0.083983 O\n0.339100 0.202456 0.913234 O\n0.824932 0.692562 0.912416 O\n0.675685 0.536214 0.912786 O\n0.495467 0.351216 0.914092 O\n0.172489 0.016123 0.926778 O\n0.171288 0.018760 0.421929 O\n0.841272 0.689170 0.419342 O\n0.498061 0.360007 0.431799 O\n0.525330 0.201118 0.764427 O\n0.881606 0.548293 0.767517 O\n0.783277 0.636262 0.260956 O\n0.973773 0.776890 0.254244 O\n0.449237 0.277050 0.255928 O\n0.277052 0.128731 0.261339 O\n0.638879 0.463974 0.253902 O\n0.668239 0.277757 0.592808 O\n0.519488 0.129802 0.584483 O\n0.856406 0.464230 0.593558 O\n0.808140 0.498551 0.097170 O\n0.470395 0.158851 0.098412 O\n0.844061 0.180337 0.923678 O\n0.988148 0.392743 0.403569 O\n0.661315 0.035434 0.421229 O\n0.824363 0.200065 0.426554 O\n0.843788 0.062437 0.740863 O\n0.820066 0.101540 0.235729 O\n0.997500 0.124391 0.082355 O\n","nsites":88,"nelements":3,"elements":["Ba","Rh","O"],"chemical_system":"Ba-O-Rh","density":6.251657674857963,"density_atomic":0.06649596047894168,"volume":1323.3886594941107,"volume_molar":9.056400895069597,"formula_full":"Ba18 Rh16 O54","formula_reduced":"Ba9Rh8O27","formula_anonymous":"A8B9C27","energy":-595.4292286799999,"energy_per_atom":-6.766241234999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-558.33122868,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.002362,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.307000Z","spacegroup":1},{"id":"mp-23403","created_at":"2022-09-04T14:39:06.562941Z","structure_string":"Sb16 I16 F80\n1.0\n16.457678 0.000000 0.000000\n0.000000 8.560844 0.000000\n0.000000 2.862381 16.816793\nSb I F\n16 16 80\ndirect\n0.219234 0.136941 0.274850 Sb\n0.719234 0.863059 0.225150 Sb\n0.780766 0.863059 0.725150 Sb\n0.280766 0.136941 0.774850 Sb\n0.240158 0.022405 0.033351 Sb\n0.740158 0.977595 0.466649 Sb\n0.759842 0.977595 0.966649 Sb\n0.259842 0.022405 0.533351 Sb\n0.994833 0.912534 0.268967 Sb\n0.494833 0.087466 0.231033 Sb\n0.005167 0.087466 0.731033 Sb\n0.505167 0.912534 0.768967 Sb\n0.286055 0.586056 0.302805 Sb\n0.786055 0.413944 0.197195 Sb\n0.713945 0.413944 0.697195 Sb\n0.213945 0.586056 0.802805 Sb\n0.507647 0.730031 0.520002 I\n0.007647 0.269969 0.979998 I\n0.492353 0.269969 0.479998 I\n0.992353 0.730031 0.020002 I\n0.584590 0.498162 0.405655 I\n0.084590 0.501838 0.094345 I\n0.415410 0.501838 0.594345 I\n0.915410 0.498162 0.905655 I\n0.518906 0.652131 0.085538 I\n0.018906 0.347869 0.414462 I\n0.481094 0.347869 0.914462 I\n0.981094 0.652131 0.585538 I\n0.384145 0.569709 0.021932 I\n0.884145 0.430291 0.478068 I\n0.615855 0.430291 0.978068 I\n0.115855 0.569709 0.521932 I\n0.174295 0.280131 0.182593 F\n0.674295 0.719869 0.317407 F\n0.825705 0.719869 0.817407 F\n0.325705 0.280131 0.682593 F\n0.249708 0.995244 0.647499 F\n0.749708 0.004756 0.852501 F\n0.750292 0.004756 0.352501 F\n0.250292 0.995244 0.147499 F\n0.280828 0.805230 0.311666 F\n0.780828 0.194770 0.188334 F\n0.719172 0.194770 0.688334 F\n0.219172 0.805230 0.811666 F\n0.242942 0.245445 0.524746 F\n0.742942 0.754555 0.975254 F\n0.757058 0.754555 0.475254 F\n0.257058 0.245445 0.024746 F\n0.375988 0.055564 0.544527 F\n0.875988 0.944436 0.955473 F\n0.624012 0.944436 0.455473 F\n0.124012 0.055564 0.044527 F\n0.139748 0.224080 0.342038 F\n0.639748 0.775920 0.157962 F\n0.860252 0.775920 0.657962 F\n0.360252 0.224080 0.842038 F\n0.289562 0.353796 0.296630 F\n0.789562 0.646204 0.203370 F\n0.710438 0.646204 0.703370 F\n0.210438 0.353796 0.796630 F\n0.113007 0.974236 0.260720 F\n0.613007 0.025764 0.239280 F\n0.886993 0.025764 0.739280 F\n0.386993 0.974236 0.760720 F\n0.276711 0.049873 0.419081 F\n0.776711 0.950127 0.080919 F\n0.723289 0.950127 0.580919 F\n0.223289 0.049873 0.919081 F\n0.146677 0.986951 0.520455 F\n0.646677 0.013049 0.979545 F\n0.853323 0.013049 0.479545 F\n0.353323 0.986951 0.020455 F\n0.280681 0.800325 0.540570 F\n0.780681 0.199675 0.959430 F\n0.719319 0.199675 0.459430 F\n0.219319 0.800325 0.040570 F\n0.974897 0.100936 0.311707 F\n0.474897 0.899064 0.188293 F\n0.025103 0.899064 0.688293 F\n0.525103 0.100936 0.811707 F\n0.018242 0.798976 0.372561 F\n0.518242 0.201024 0.127439 F\n0.981758 0.201024 0.627439 F\n0.481758 0.798976 0.872561 F\n0.021847 0.729402 0.224274 F\n0.521847 0.270598 0.275726 F\n0.978153 0.270598 0.775726 F\n0.478153 0.729402 0.724274 F\n0.378673 0.552624 0.370763 F\n0.878673 0.447376 0.129237 F\n0.621327 0.447376 0.629237 F\n0.121327 0.552624 0.870763 F\n0.979818 0.027819 0.164056 F\n0.479818 0.972181 0.335944 F\n0.020182 0.972181 0.835944 F\n0.520182 0.027819 0.664056 F\n0.382459 0.148292 0.221401 F\n0.882459 0.851708 0.278599 F\n0.617541 0.851708 0.778599 F\n0.117541 0.148292 0.721401 F\n0.691941 0.400121 0.263184 F\n0.191941 0.599879 0.236816 F\n0.308059 0.599879 0.736816 F\n0.808059 0.400121 0.763184 F\n0.717876 0.471020 0.105184 F\n0.217876 0.528980 0.394816 F\n0.282124 0.528980 0.894816 F\n0.782124 0.471020 0.605184 F\n0.854502 0.380369 0.288453 F\n0.354502 0.619631 0.211547 F\n0.145498 0.619631 0.711547 F\n0.645498 0.380369 0.788453 F\n","nsites":112,"nelements":3,"elements":["Sb","I","F"],"chemical_system":"F-I-Sb","density":3.853588191673423,"density_atomic":0.047270446019010114,"volume":2369.345107405132,"volume_molar":12.739758701616983,"formula_full":"Sb16 I16 F80","formula_reduced":"SbIF5","formula_anonymous":"ABC5","energy":-498.54718044,"energy_per_atom":-4.4513141110714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-461.58718044,"band_gap":2.0215,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1474439,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.409000Z","spacegroup":14},{"id":"mp-1019516","created_at":"2022-09-04T14:39:06.568749Z","structure_string":"Ba32 Ga8 N24 O8\n1.0\n7.987433 0.000000 0.000000\n0.000000 8.025366 0.000000\n0.000000 0.000000 25.011590\nBa Ga N O\n32 8 24 8\ndirect\n0.165991 0.857439 0.436821 Ba\n0.834009 0.357439 0.063179 Ba\n0.334009 0.142561 0.936821 Ba\n0.665991 0.642561 0.563179 Ba\n0.834009 0.142561 0.563179 Ba\n0.165991 0.642561 0.936821 Ba\n0.665991 0.857439 0.063179 Ba\n0.334009 0.357439 0.436821 Ba\n0.357449 0.518938 0.061206 Ba\n0.642551 0.018938 0.438794 Ba\n0.142551 0.481062 0.561206 Ba\n0.857449 0.981062 0.938794 Ba\n0.642551 0.481062 0.938794 Ba\n0.357449 0.981062 0.561206 Ba\n0.857449 0.518938 0.438794 Ba\n0.142551 0.018938 0.061206 Ba\n0.263359 0.953141 0.266457 Ba\n0.736641 0.453141 0.233543 Ba\n0.236641 0.046859 0.766457 Ba\n0.763359 0.546859 0.733543 Ba\n0.736641 0.046859 0.733543 Ba\n0.263359 0.546859 0.766457 Ba\n0.763359 0.953141 0.233543 Ba\n0.236641 0.453141 0.266457 Ba\n0.040533 0.691156 0.149727 Ba\n0.959467 0.191156 0.350273 Ba\n0.459467 0.308844 0.649727 Ba\n0.540533 0.808844 0.850273 Ba\n0.959467 0.308844 0.850273 Ba\n0.040533 0.808844 0.649727 Ba\n0.540533 0.691156 0.350273 Ba\n0.459467 0.191156 0.149727 Ba\n0.484376 0.706300 0.171455 Ga\n0.515624 0.206300 0.328545 Ga\n0.015624 0.293700 0.671455 Ga\n0.984376 0.793700 0.828545 Ga\n0.515624 0.293700 0.828545 Ga\n0.484376 0.793700 0.671455 Ga\n0.984376 0.706300 0.328545 Ga\n0.015624 0.206300 0.171455 Ga\n0.138824 0.574450 0.372332 N\n0.861176 0.074450 0.127668 N\n0.361176 0.425550 0.872332 N\n0.638824 0.925550 0.627668 N\n0.861176 0.425550 0.627668 N\n0.138824 0.925550 0.872332 N\n0.638824 0.574450 0.127668 N\n0.361176 0.074450 0.372332 N\n0.348850 0.860983 0.131949 N\n0.651150 0.360983 0.368051 N\n0.151150 0.139017 0.631949 N\n0.848850 0.639017 0.868051 N\n0.651150 0.139017 0.868051 N\n0.348850 0.639017 0.631949 N\n0.848850 0.860983 0.368051 N\n0.151150 0.360983 0.131949 N\n0.491239 0.691393 0.247219 N\n0.508761 0.191393 0.252781 N\n0.008761 0.308607 0.747219 N\n0.991239 0.808607 0.752781 N\n0.508761 0.308607 0.752781 N\n0.491239 0.808607 0.747219 N\n0.991239 0.691393 0.252781 N\n0.008761 0.191393 0.247219 N\n0.974325 0.768338 0.025338 O\n0.025675 0.268338 0.474662 O\n0.525675 0.231662 0.525338 O\n0.474325 0.731662 0.974662 O\n0.025675 0.231662 0.974662 O\n0.974325 0.731662 0.525338 O\n0.474325 0.768338 0.474662 O\n0.525675 0.268338 0.025338 O\n","nsites":72,"nelements":4,"elements":["Ba","Ga","N","O"],"chemical_system":"Ba-Ga-N-O","density":5.609792154392832,"density_atomic":0.04490752491844371,"volume":1603.2947736656336,"volume_molar":13.41009278720387,"formula_full":"Ba32 Ga8 N24 O8","formula_reduced":"Ba4GaN3O","formula_anonymous":"ABC3D4","energy":-402.03374315,"energy_per_atom":-5.583801988194445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-387.87374315,"band_gap":1.2876000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0284314,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.786000Z","spacegroup":61},{"id":"mp-1208897","created_at":"2022-09-04T14:39:06.575966Z","structure_string":"Sr1 Mg2 In2\n1.0\n-2.347276 2.347276 6.508558\n2.347276 -2.347276 6.508558\n2.347276 2.347276 -6.508558\nSr Mg In\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.389708 0.389708 0.000000 In\n0.610292 0.610292 0.000000 In\n","nsites":5,"nelements":3,"elements":["Sr","Mg","In"],"chemical_system":"In-Mg-Sr","density":4.235435403274222,"density_atomic":0.03485755466102233,"volume":143.44092833313385,"volume_molar":17.276429223344085,"formula_full":"Sr1 Mg2 In2","formula_reduced":"Sr(MgIn)2","formula_anonymous":"AB2C2","energy":-11.75615554,"energy_per_atom":-2.351231108,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.75615554,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025992,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.224000Z","spacegroup":139},{"id":"mp-1232079","created_at":"2022-09-04T14:39:06.589822Z","structure_string":"Nd8 Mg4 S16\n1.0\n7.591602 -0.110177 0.691954\n-0.184154 8.799200 1.330536\n0.260384 0.340764 11.934687\nNd Mg S\n8 4 16\ndirect\n0.136326 0.706035 0.658294 Nd\n0.863674 0.293965 0.341706 Nd\n0.247762 0.869559 0.997215 Nd\n0.752238 0.130441 0.002785 Nd\n0.368624 0.552642 0.334531 Nd\n0.631376 0.447358 0.665469 Nd\n0.360918 0.027498 0.345728 Nd\n0.639082 0.972502 0.654272 Nd\n0.139555 0.207143 0.685689 Mg\n0.860445 0.792857 0.314311 Mg\n0.248027 0.389003 0.993324 Mg\n0.751973 0.610997 0.006676 Mg\n0.099175 0.639886 0.887739 S\n0.900825 0.360114 0.112261 S\n0.115361 0.165982 0.892294 S\n0.884639 0.834018 0.107706 S\n0.149403 0.770671 0.393604 S\n0.850597 0.229329 0.606396 S\n0.201206 0.280324 0.378185 S\n0.798794 0.719676 0.621815 S\n0.296423 0.993882 0.609081 S\n0.703577 0.006118 0.390919 S\n0.300360 0.454556 0.602601 S\n0.699640 0.545444 0.397399 S\n0.396864 0.085797 0.117048 S\n0.603136 0.914203 0.882952 S\n0.403670 0.588797 0.104787 S\n0.596330 0.411203 0.895213 S\n","nsites":28,"nelements":3,"elements":["Nd","Mg","S"],"chemical_system":"Mg-Nd-S","density":3.6994157268099217,"density_atomic":0.0353586145099846,"volume":791.8862316308614,"volume_molar":17.031608402810757,"formula_full":"Nd8 Mg4 S16","formula_reduced":"Nd2MgS4","formula_anonymous":"AB2C4","energy":-165.33501093,"energy_per_atom":-5.904821818928572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.28701093,"band_gap":2.091,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006571,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.941000Z","spacegroup":2},{"id":"mp-1213221","created_at":"2022-09-04T14:39:06.596967Z","structure_string":"Er6 Ge6 Rh12\n1.0\n2.790634 -4.833520 0.000000\n2.790634 4.833520 0.000000\n0.000000 0.000000 15.489779\nEr Ge Rh\n6 6 12\ndirect\n0.333333 0.666667 0.538238 Er\n0.666667 0.333333 0.461762 Er\n0.666667 0.333333 0.038238 Er\n0.333333 0.666667 0.961762 Er\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.000000 0.000000 0.250000 Ge\n0.000000 0.000000 0.750000 Ge\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.168399 0.336798 0.127060 Rh\n0.831601 0.663202 0.872940 Rh\n0.663202 0.831601 0.127060 Rh\n0.831601 0.663202 0.627060 Rh\n0.336798 0.168399 0.872940 Rh\n0.168399 0.336798 0.372940 Rh\n0.168399 0.831601 0.127060 Rh\n0.336798 0.168399 0.627060 Rh\n0.831601 0.168399 0.872940 Rh\n0.663202 0.831601 0.372940 Rh\n0.831601 0.168399 0.627060 Rh\n0.168399 0.831601 0.372940 Rh\n","nsites":24,"nelements":3,"elements":["Er","Ge","Rh"],"chemical_system":"Er-Ge-Rh","density":10.62701044890881,"density_atomic":0.05743407399738465,"volume":417.8704091423652,"volume_molar":10.48531009705881,"formula_full":"Er6 Ge6 Rh12","formula_reduced":"ErGeRh2","formula_anonymous":"ABC2","energy":-164.41319815,"energy_per_atom":-6.850549922916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.41319815,"band_gap":0.0156999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0257015,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.392000Z","spacegroup":194},{"id":"mp-780886","created_at":"2022-09-04T14:39:06.597512Z","structure_string":"Mn3 Cr3 Co2 O16\n1.0\n5.815800 0.000127 -0.028161\n-2.907785 5.036556 -0.000013\n-0.044784 -0.025933 8.698247\nMn Cr Co O\n3 3 2 16\ndirect\n0.658794 0.829410 0.211334 Mn\n0.828078 0.661892 0.712558 Mn\n0.828075 0.166231 0.712547 Mn\n0.162564 0.832876 0.200479 Cr\n0.162617 0.329681 0.200471 Cr\n0.324252 0.162144 0.701114 Cr\n0.338100 0.669054 0.483109 Co\n0.667595 0.333806 0.982468 Co\n0.173015 0.832265 0.606152 O\n0.059624 0.529804 0.339794 O\n0.339896 0.669937 0.092892 O\n0.994769 0.997388 0.314065 O\n0.992105 0.996089 0.818706 O\n0.173012 0.340766 0.606146 O\n0.476269 0.952533 0.342304 O\n0.476291 0.523759 0.342301 O\n0.348429 0.174197 0.106518 O\n0.659569 0.829802 0.602171 O\n0.523166 0.473839 0.844083 O\n0.523165 0.049373 0.844071 O\n0.671786 0.335920 0.599721 O\n0.832035 0.656737 0.103465 O\n0.954744 0.477383 0.845788 O\n0.832047 0.175315 0.103464 O\n","nsites":24,"nelements":4,"elements":["Mn","Cr","Co","O"],"chemical_system":"Co-Cr-Mn-O","density":4.527464083617426,"density_atomic":0.09419879569920896,"volume":254.78032730519868,"volume_molar":6.393012474628242,"formula_full":"Mn3 Cr3 Co2 O16","formula_reduced":"Mn3Cr3(CoO8)2","formula_anonymous":"A2B3C3D16","energy":-188.60803932,"energy_per_atom":-7.858668304999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.33903932,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9252669,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.669000Z","spacegroup":8},{"id":"mp-1312000","created_at":"2022-09-04T14:39:06.602768Z","structure_string":"La8 Fe2 Se12 O2\n1.0\n9.833178 -0.012085 0.018568\n-4.926420 8.488495 -0.037740\n0.014070 -0.023621 7.117372\nLa Fe Se O\n8 2 12 2\ndirect\n0.801150 0.601919 0.161002 La\n0.333275 0.666728 0.207392 La\n0.399433 0.199412 0.159168 La\n0.199300 0.798553 0.661260 La\n0.599841 0.798755 0.660988 La\n0.198805 0.397688 0.658498 La\n0.668180 0.334624 0.707133 La\n0.799325 0.200439 0.158359 La\n0.001334 0.998779 0.999762 Fe\n0.001782 0.004634 0.499219 Fe\n0.123568 0.248285 0.260186 Se\n0.124931 0.877114 0.268912 Se\n0.530288 0.469813 0.445880 Se\n0.940692 0.470851 0.444737 Se\n0.875209 0.123275 0.761001 Se\n0.752537 0.877780 0.264221 Se\n0.529706 0.060007 0.444610 Se\n0.246905 0.122769 0.763999 Se\n0.059714 0.529430 0.945528 Se\n0.469695 0.939918 0.945499 Se\n0.469267 0.529423 0.945321 Se\n0.875187 0.750349 0.765785 Se\n0.666741 0.333924 0.043134 O\n0.333134 0.665530 0.543361 O\n","nsites":24,"nelements":4,"elements":["La","Fe","Se","O"],"chemical_system":"Fe-La-O-Se","density":6.160666874092095,"density_atomic":0.0404280977792207,"volume":593.6465309613345,"volume_molar":14.895929046395226,"formula_full":"La8 Fe2 Se12 O2","formula_reduced":"La4FeSe6O","formula_anonymous":"ABC4D6","energy":-161.89276339,"energy_per_atom":-6.745531807916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.34276339,"band_gap":1.6208999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0011643,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.667000Z","spacegroup":8},{"id":"mp-12674","created_at":"2022-09-04T14:39:17.775065Z","structure_string":"Mn1 Au1\n1.0\n3.225519 0.000000 0.000000\n0.000000 3.225519 0.000000\n0.000000 0.000000 3.225519\nMn Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Au\n","nsites":2,"nelements":2,"elements":["Mn","Au"],"chemical_system":"Au-Mn","density":12.46483133695531,"density_atomic":0.05959793089517981,"volume":33.55821200433247,"volume_molar":10.104613817200592,"formula_full":"Mn1 Au1","formula_reduced":"MnAu","formula_anonymous":"AB","energy":-12.45603175,"energy_per_atom":-6.228015875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.45603175,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.073306,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.105000Z","spacegroup":221},{"id":"mp-1246531","created_at":"2022-09-04T14:39:05.467382Z","structure_string":"Sr12 Y8 N16\n1.0\n6.358043 0.000000 0.000000\n0.000000 12.494639 0.000000\n0.000000 0.000000 10.233117\nSr Y N\n12 8 16\ndirect\n0.682605 0.172661 0.396168 Sr\n0.817395 0.827339 0.396168 Sr\n0.682605 0.327339 0.103832 Sr\n0.817395 0.672661 0.103832 Sr\n0.317395 0.827339 0.603832 Sr\n0.182605 0.172661 0.603832 Sr\n0.317395 0.672661 0.896168 Sr\n0.182605 0.327339 0.896168 Sr\n0.750000 0.500000 0.437741 Sr\n0.750000 -0.000000 0.062259 Sr\n0.250000 0.500000 0.562259 Sr\n0.250000 -0.000000 0.937741 Sr\n0.750000 0.500000 0.790358 Y\n0.750000 -0.000000 0.709642 Y\n0.250000 0.500000 0.209642 Y\n0.250000 -0.000000 0.290358 Y\n0.731525 0.250000 0.750000 Y\n0.768475 0.750000 0.750000 Y\n0.268475 0.750000 0.250000 Y\n0.231525 0.250000 0.250000 Y\n0.955795 0.384562 0.666598 N\n0.544205 0.615438 0.666598 N\n0.955795 0.115438 0.833402 N\n0.544205 0.884562 0.833402 N\n0.044205 0.615438 0.333402 N\n0.455795 0.384562 0.333402 N\n0.044205 0.884562 0.166598 N\n0.455795 0.115438 0.166598 N\n0.561347 0.363783 0.880682 N\n0.938653 0.636217 0.880682 N\n0.561347 0.136217 0.619318 N\n0.938653 0.863783 0.619318 N\n0.438653 0.636217 0.119318 N\n0.061347 0.363783 0.119318 N\n0.438653 0.863783 0.380682 N\n0.061347 0.136217 0.380682 N\n","nsites":36,"nelements":3,"elements":["Sr","Y","N"],"chemical_system":"N-Sr-Y","density":4.058325005707711,"density_atomic":0.044284055615994335,"volume":812.9336732879918,"volume_molar":13.598891691900386,"formula_full":"Sr12 Y8 N16","formula_reduced":"Sr3Y2N4","formula_anonymous":"A2B3C4","energy":-240.88505087,"energy_per_atom":-6.691251413055555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-235.10905087,"band_gap":0.7248999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.003935,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.434000Z","spacegroup":52}]}