{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=12116","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=12114","results":[{"id":"mp-1190342","created_at":"2022-09-04T14:46:24.934374Z","structure_string":"Lu10 Pt6\n1.0\n4.159537 -7.204530 0.000000\n4.159537 7.204530 0.000000\n0.000000 0.000000 5.999653\nLu Pt\n10 6\ndirect\n0.666667 0.333333 0.500000 Lu\n0.333333 0.666667 0.500000 Lu\n0.333333 0.666667 0.000000 Lu\n0.666667 0.333333 0.000000 Lu\n0.751419 0.751419 0.250000 Lu\n0.248581 0.000000 0.250000 Lu\n0.000000 0.248581 0.250000 Lu\n0.248581 0.248581 0.750000 Lu\n0.751419 0.000000 0.750000 Lu\n0.000000 0.751419 0.750000 Lu\n0.394972 0.394972 0.250000 Pt\n0.605028 0.000000 0.250000 Pt\n0.000000 0.605028 0.250000 Pt\n0.605028 0.605028 0.750000 Pt\n0.394972 0.000000 0.750000 Pt\n0.000000 0.394972 0.750000 Pt\n","nsites":16,"nelements":2,"elements":["Lu","Pt"],"chemical_system":"Lu-Pt","density":13.48500316726947,"density_atomic":0.04449520460104448,"volume":359.58931178000284,"volume_molar":13.534359070816896,"formula_full":"Lu10 Pt6","formula_reduced":"Lu5Pt3","formula_anonymous":"A3B5","energy":-98.90310177,"energy_per_atom":-6.181443860625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.90310177,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019372,"is_theoretical":false,"updated_at":"2021-11-28T01:37:35.850000Z","spacegroup":193},{"id":"mp-759026","created_at":"2022-09-04T14:46:24.936702Z","structure_string":"Li4 Mn12 P8 H16 O48\n1.0\n10.360785 0.000000 0.000000\n0.000000 7.465222 0.000000\n0.000000 5.801462 11.680024\nLi Mn P H O\n4 12 8 16 48\ndirect\n0.393067 0.232966 0.173271 Li\n0.893067 0.767034 0.326729 Li\n0.106933 0.232966 0.673271 Li\n0.606933 0.767034 0.826729 Li\n0.783410 0.510470 0.040515 Mn\n0.238942 0.026906 0.037540 Mn\n0.428584 0.754623 0.233903 Mn\n0.928584 0.245377 0.266097 Mn\n0.283410 0.489530 0.459485 Mn\n0.738942 0.973094 0.462460 Mn\n0.261058 0.026906 0.537540 Mn\n0.716590 0.510470 0.540515 Mn\n0.071416 0.754623 0.733903 Mn\n0.571416 0.245377 0.766097 Mn\n0.761058 0.973094 0.962460 Mn\n0.216590 0.489530 0.959485 Mn\n0.169201 0.555797 0.194958 P\n0.682073 0.047409 0.181463 P\n0.669201 0.444203 0.305042 P\n0.182073 0.952591 0.318537 P\n0.817927 0.047409 0.681463 P\n0.330799 0.555797 0.694958 P\n0.317927 0.952591 0.818537 P\n0.830799 0.444203 0.805042 P\n0.388729 0.778233 0.030438 H\n0.960542 0.771467 0.056867 H\n0.596094 0.663176 0.069285 H\n0.993216 0.283005 0.068509 H\n0.096094 0.336824 0.430715 H\n0.460542 0.228533 0.443133 H\n0.888729 0.221767 0.469562 H\n0.493216 0.716995 0.431491 H\n0.506784 0.283005 0.568509 H\n0.111271 0.778233 0.530438 H\n0.539458 0.771467 0.556867 H\n0.903906 0.663176 0.569285 H\n0.006784 0.716995 0.931491 H\n0.403906 0.336824 0.930715 H\n0.039458 0.228533 0.943133 H\n0.611271 0.221767 0.969562 H\n0.643734 0.701251 0.996400 O\n0.105162 0.228513 0.999122 O\n0.392548 0.864501 0.070224 O\n0.122184 0.768866 0.110934 O\n0.220560 0.440479 0.130275 O\n0.933416 0.347979 0.102424 O\n0.663981 0.271372 0.093575 O\n0.753401 0.930823 0.125992 O\n0.784774 0.436921 0.227676 O\n0.559191 0.553022 0.220239 O\n0.266138 0.984249 0.212210 O\n0.059191 0.446978 0.279761 O\n0.284774 0.563079 0.272324 O\n0.541407 0.976533 0.219522 O\n0.041407 0.023467 0.280478 O\n0.766138 0.015751 0.287790 O\n0.720560 0.559521 0.369725 O\n0.622184 0.231134 0.389066 O\n0.253401 0.069177 0.374008 O\n0.892548 0.135499 0.429776 O\n0.163981 0.728628 0.406425 O\n0.433416 0.652021 0.397576 O\n0.143734 0.298749 0.503600 O\n0.394838 0.228513 0.499122 O\n0.605162 0.771487 0.500878 O\n0.856266 0.701251 0.496400 O\n0.566584 0.347979 0.602424 O\n0.836019 0.271372 0.593575 O\n0.107452 0.864501 0.570224 O\n0.746599 0.930823 0.625992 O\n0.377816 0.768866 0.610934 O\n0.279440 0.440479 0.630275 O\n0.233862 0.984249 0.712210 O\n0.958593 0.976533 0.719522 O\n0.458593 0.023467 0.780478 O\n0.715226 0.436921 0.727676 O\n0.940809 0.553022 0.720239 O\n0.733862 0.015751 0.787790 O\n0.440809 0.446978 0.779761 O\n0.215226 0.563079 0.772324 O\n0.246599 0.069177 0.874008 O\n0.336019 0.728628 0.906425 O\n0.066584 0.652021 0.897576 O\n0.779440 0.559521 0.869725 O\n0.877816 0.231134 0.889066 O\n0.607452 0.135499 0.929776 O\n0.894838 0.771487 0.000878 O\n0.356266 0.298749 0.003600 O\n","nsites":88,"nelements":5,"elements":["Li","Mn","P","H","O"],"chemical_system":"H-Li-Mn-O-P","density":3.1595325042842646,"density_atomic":0.09741000107087734,"volume":903.3979984865163,"volume_molar":6.182261260440987,"formula_full":"Li4 Mn12 P8 H16 O48","formula_reduced":"LiMn3P2(HO3)4","formula_anonymous":"AB2C3D4E12","energy":-635.96634089,"energy_per_atom":-7.226890237386363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-582.97434089,"band_gap":0.8147000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":47.9981615,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.530000Z","spacegroup":14},{"id":"mp-1030742","created_at":"2022-09-04T14:46:24.937920Z","structure_string":"Mo2 W2 Se4 S4\n1.0\n1.627767 -2.819375 0.000000\n1.627767 2.819375 0.000000\n0.000000 0.000000 36.892969\nMo W Se S\n2 2 4 4\ndirect\n0.000000 0.000000 0.093885 Mo\n0.000000 0.000000 0.469634 Mo\n0.333333 0.666667 0.281801 W\n0.333333 0.666667 0.657571 W\n0.000000 0.000000 0.703870 Se\n0.333333 0.666667 0.047842 Se\n0.333333 0.666667 0.139990 Se\n0.000000 0.000000 0.611240 Se\n0.000000 0.000000 0.323840 S\n0.333333 0.666667 0.427818 S\n0.333333 0.666667 0.511467 S\n0.000000 0.000000 0.239789 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":4.921721405499116,"density_atomic":0.03543745781917792,"volume":338.62474168521993,"volume_molar":16.993715493725283,"formula_full":"Mo2 W2 Se4 S4","formula_reduced":"MoW(SeS)2","formula_anonymous":"ABC2D2","energy":-90.61615514,"energy_per_atom":-7.551346261666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.71615514,"band_gap":0.5697000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.193000Z","spacegroup":156},{"id":"mp-758242","created_at":"2022-09-04T14:46:24.949738Z","structure_string":"Li2 P6 W4 O24\n1.0\n7.694895 -4.424549 0.000000\n7.694895 4.424549 0.000000\n5.150788 0.000000 7.228930\nLi P W O\n2 6 4 24\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.250000 0.540939 0.959061 P\n0.459061 0.040939 0.750000 P\n0.040939 0.750000 0.459061 P\n0.959061 0.250000 0.540939 P\n0.540939 0.959061 0.250000 P\n0.750000 0.459061 0.040939 P\n0.641335 0.641335 0.641335 W\n0.858665 0.858665 0.858665 W\n0.141335 0.141335 0.141335 W\n0.358665 0.358665 0.358665 W\n0.411694 0.558805 0.771623 O\n0.228377 0.588306 0.441195 O\n0.505546 0.116153 0.303569 O\n0.383847 0.994454 0.196431 O\n0.088306 0.728377 0.941195 O\n0.271623 0.058805 0.911694 O\n0.441195 0.228377 0.588306 O\n0.696431 0.494454 0.883847 O\n0.005546 0.803569 0.616153 O\n0.803569 0.616153 0.005546 O\n0.883847 0.696431 0.494454 O\n0.058805 0.911694 0.271623 O\n0.941195 0.088306 0.728377 O\n0.116153 0.303569 0.505546 O\n0.196431 0.383847 0.994454 O\n0.303569 0.505546 0.116153 O\n0.994454 0.196431 0.383847 O\n0.558805 0.771623 0.411694 O\n0.728377 0.941195 0.088306 O\n0.911694 0.271623 0.058805 O\n0.494454 0.883847 0.696431 O\n0.616153 0.005546 0.803569 O\n0.771623 0.411694 0.558805 O\n0.588306 0.441195 0.228377 O\n","nsites":36,"nelements":4,"elements":["Li","P","W","O"],"chemical_system":"Li-O-P-W","density":4.4498080264933675,"density_atomic":0.07313525476278702,"volume":492.23866269100176,"volume_molar":8.234251428442702,"formula_full":"Li2 P6 W4 O24","formula_reduced":"LiP3(WO6)2","formula_anonymous":"AB2C3D12","energy":-295.09228757999995,"energy_per_atom":-8.197007988333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.85228758,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9993144,"is_theoretical":true,"updated_at":"2021-11-28T01:37:37.730000Z","spacegroup":167},{"id":"mp-865752","created_at":"2022-09-04T14:46:24.962655Z","structure_string":"Yb1 Ga2 Ir1\n1.0\n0.000000 3.210171 3.210171\n3.210171 0.000000 3.210171\n3.210172 3.210171 0.000000\nYb Ga Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Ga\n0.500000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Yb","Ga","Ir"],"chemical_system":"Ga-Ir-Yb","density":12.666902248529075,"density_atomic":0.06045683767297914,"volume":66.1629048749895,"volume_molar":9.961058156191925,"formula_full":"Yb1 Ga2 Ir1","formula_reduced":"YbGa2Ir","formula_anonymous":"ABC2","energy":-18.74044132,"energy_per_atom":-4.68511033,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.74044132,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006726,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.940000Z","spacegroup":225},{"id":"mp-1194748","created_at":"2022-09-04T14:46:24.977863Z","structure_string":"Ba8 Zn8 B28 Pb4 O62\n1.0\n6.184653 3.562101 0.000000\n-6.184653 3.562101 0.000000\n0.000000 1.463776 32.102671\nBa Zn B Pb O\n8 8 28 4 62\ndirect\n0.522927 0.663125 0.375354 Ba\n0.663125 0.522927 0.875354 Ba\n0.389516 0.213345 0.749983 Ba\n0.213345 0.389516 0.249983 Ba\n0.789761 0.877198 0.672380 Ba\n0.877198 0.789761 0.172380 Ba\n0.870589 0.265602 0.452610 Ba\n0.265602 0.870589 0.952610 Ba\n0.508073 0.577900 0.485114 Zn\n0.577900 0.508073 0.985114 Zn\n0.844936 0.343011 0.337514 Zn\n0.343011 0.844936 0.837514 Zn\n0.709164 0.890292 0.788294 Zn\n0.890292 0.709164 0.288294 Zn\n0.469439 0.230342 0.640286 Zn\n0.230342 0.469439 0.140286 Zn\n0.363398 0.874180 0.462882 B\n0.874180 0.363398 0.962882 B\n0.882221 0.594241 0.768131 B\n0.594241 0.882221 0.268131 B\n0.001116 0.778044 0.381694 B\n0.778044 0.001116 0.881694 B\n0.402907 0.046560 0.367623 B\n0.046560 0.402907 0.867623 B\n0.245412 0.142507 0.458579 B\n0.142507 0.245412 0.958579 B\n0.911851 0.495487 0.666774 B\n0.495487 0.911851 0.166774 B\n0.309615 0.775247 0.662326 B\n0.775247 0.309615 0.162326 B\n0.360703 0.369524 0.564729 B\n0.369524 0.360703 0.064729 B\n0.182214 0.379252 0.663796 B\n0.379252 0.182214 0.163796 B\n0.005922 0.332566 0.758215 B\n0.332566 0.005922 0.258215 B\n0.141805 0.171227 0.358355 B\n0.171227 0.141805 0.858355 B\n0.945639 0.115219 0.565469 B\n0.115219 0.945639 0.065469 B\n0.965137 0.745363 0.463049 B\n0.745363 0.965137 0.963049 B\n0.274576 0.734969 0.744221 B\n0.734969 0.274576 0.244221 B\n0.492265 0.917884 0.562840 Pb\n0.917884 0.492265 0.062840 Pb\n0.894293 0.593197 0.559331 Pb\n0.593197 0.894293 0.059331 Pb\n0.384033 0.846267 0.704481 O\n0.846267 0.384033 0.204481 O\n0.380017 0.541583 0.541884 O\n0.541583 0.380017 0.041884 O\n0.535217 0.842251 0.458610 O\n0.842251 0.535217 0.958610 O\n0.074428 0.706660 0.657987 O\n0.706660 0.074428 0.157987 O\n0.611360 0.088764 0.367365 O\n0.088764 0.611360 0.867365 O\n0.536570 0.362702 0.581325 O\n0.362702 0.536570 0.081325 O\n0.419736 0.854434 0.777197 O\n0.854434 0.419736 0.277197 O\n0.790981 0.601888 0.493570 O\n0.601888 0.790981 0.993570 O\n0.889090 0.667780 0.421578 O\n0.667780 0.889090 0.921578 O\n0.883018 0.633437 0.348751 O\n0.633437 0.883018 0.848751 O\n0.413329 0.093054 0.459503 O\n0.093054 0.413329 0.959503 O\n0.034285 0.979920 0.466844 O\n0.979920 0.034285 0.966844 O\n0.154484 0.713294 0.472343 O\n0.713294 0.154484 0.972343 O\n0.074561 0.757009 0.751085 O\n0.757009 0.074561 0.251085 O\n0.703951 0.449035 0.674388 O\n0.449035 0.703951 0.174388 O\n0.236645 0.843814 0.380868 O\n0.843814 0.236645 0.880868 O\n0.294045 0.350044 0.449622 O\n0.350044 0.294045 0.949622 O\n0.119657 0.342973 0.346367 O\n0.342973 0.119657 0.846367 O\n0.963427 0.124010 0.758583 O\n0.124010 0.963427 0.258583 O\n0.844523 0.379333 0.771046 O\n0.379333 0.844523 0.271046 O\n0.217083 0.210207 0.670253 O\n0.210207 0.217083 0.170253 O\n0.797004 0.911342 0.582627 O\n0.911342 0.797004 0.082627 O\n0.978977 0.977980 0.375034 O\n0.977980 0.978977 0.875034 O\n0.871925 0.233327 0.543699 O\n0.233327 0.871925 0.043699 O\n0.712092 0.615868 0.781583 O\n0.615868 0.712092 0.281583 O\n0.454009 0.952807 0.633115 O\n0.952807 0.454009 0.133115 O\n0.356123 0.207513 0.354479 O\n0.207513 0.356123 0.854479 O\n0.962312 0.328504 0.666929 O\n0.328504 0.962312 0.166929 O\n0.209284 0.499360 0.745391 O\n0.499360 0.209284 0.245391 O\n0.162234 0.180180 0.573014 O\n0.180180 0.162234 0.073014 O\n0.341223 0.586473 0.652849 O\n0.586473 0.341223 0.152849 O\n","nsites":110,"nelements":5,"elements":["Ba","Zn","B","Pb","O"],"chemical_system":"B-Ba-O-Pb-Zn","density":4.3969324687593945,"density_atomic":0.07776782526965728,"volume":1414.4667106040158,"volume_molar":7.743743301446879,"formula_full":"Ba8 Zn8 B28 Pb4 O62","formula_reduced":"Ba4Zn4B14Pb2O31","formula_anonymous":"A2B4C4D14E31","energy":-836.46116909,"energy_per_atom":-7.6041924462727275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-793.86716909,"band_gap":3.6902,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0296385,"is_theoretical":false,"updated_at":"2021-11-28T01:37:36.659000Z","spacegroup":9},{"id":"mp-1221197","created_at":"2022-09-04T14:46:24.980994Z","structure_string":"Na4 Eu1 Ge2 Se6\n1.0\n6.232930 3.610234 0.000000\n-6.232930 3.610234 0.000000\n0.000000 2.409359 7.713941\nNa Eu Ge Se\n4 1 2 6\ndirect\n0.673150 0.326850 0.000000 Na\n0.326827 0.673173 0.000000 Na\n0.000003 0.999997 0.000000 Na\n0.833973 0.166027 0.500000 Na\n0.165966 0.834034 0.500000 Eu\n0.551378 0.551307 0.341394 Ge\n0.448693 0.448622 0.658606 Ge\n0.900958 0.583938 0.250675 Se\n0.580221 0.899091 0.250328 Se\n0.100909 0.419779 0.749672 Se\n0.416062 0.099042 0.749325 Se\n0.266552 0.264691 0.250319 Se\n0.735309 0.733448 0.749681 Se\n","nsites":13,"nelements":4,"elements":["Na","Eu","Ge","Se"],"chemical_system":"Eu-Ge-Na-Se","density":4.127693123224496,"density_atomic":0.037446345702063295,"volume":347.1633815334803,"volume_molar":16.08205192547848,"formula_full":"Na4 Eu1 Ge2 Se6","formula_reduced":"Na4Eu(GeSe3)2","formula_anonymous":"AB2C4D6","energy":-61.69273739999999,"energy_per_atom":-4.745595184615384,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.8607374,"band_gap":0.3877999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9949785,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.304000Z","spacegroup":5},{"id":"mp-1214575","created_at":"2022-09-04T14:46:24.982129Z","structure_string":"Ba10 Mn6 O24 F2\n1.0\n5.289684 -9.162001 0.000000\n5.289684 9.162001 0.000000\n0.000000 0.000000 7.936738\nBa Mn O F\n10 6 24 2\ndirect\n0.333333 0.666667 0.997808 Ba\n0.666667 0.333333 0.002192 Ba\n0.666667 0.333333 0.497808 Ba\n0.333333 0.666667 0.502192 Ba\n0.243292 0.251516 0.250000 Ba\n0.756708 0.748484 0.750000 Ba\n0.748484 0.991776 0.250000 Ba\n0.251516 0.008224 0.750000 Ba\n0.008224 0.756708 0.250000 Ba\n0.991776 0.243292 0.750000 Ba\n0.398488 0.028299 0.250000 Mn\n0.601512 0.971701 0.750000 Mn\n0.971701 0.370189 0.250000 Mn\n0.028299 0.629811 0.750000 Mn\n0.629811 0.601512 0.250000 Mn\n0.370189 0.398488 0.750000 Mn\n0.157669 0.483235 0.250000 O\n0.842331 0.516765 0.750000 O\n0.516765 0.674434 0.250000 O\n0.483235 0.325566 0.750000 O\n0.325566 0.842331 0.250000 O\n0.674434 0.157669 0.750000 O\n0.586822 0.123099 0.250000 O\n0.413178 0.876901 0.750000 O\n0.876901 0.463723 0.250000 O\n0.123099 0.536277 0.750000 O\n0.536277 0.413178 0.250000 O\n0.463723 0.586822 0.750000 O\n0.343295 0.086089 0.077281 O\n0.656705 0.913911 0.922719 O\n0.913911 0.257207 0.077281 O\n0.656705 0.913911 0.577281 O\n0.086089 0.742793 0.922719 O\n0.343295 0.086089 0.422719 O\n0.742793 0.656705 0.077281 O\n0.086089 0.742793 0.577281 O\n0.257207 0.343295 0.922719 O\n0.913911 0.257207 0.422719 O\n0.257207 0.343295 0.577281 O\n0.742793 0.656705 0.422719 O\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n","nsites":42,"nelements":4,"elements":["Ba","Mn","O","F"],"chemical_system":"Ba-F-Mn-O","density":4.58660712621482,"density_atomic":0.05459554269237841,"volume":769.2935710274246,"volume_molar":11.030462310690973,"formula_full":"Ba10 Mn6 O24 F2","formula_reduced":"Ba5Mn3O12F","formula_anonymous":"AB3C5D12","energy":-304.90039992000004,"energy_per_atom":-7.259533331428573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-277.48039992,"band_gap":1.8397,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0184189,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.256000Z","spacegroup":176},{"id":"mp-541951","created_at":"2022-09-04T14:46:24.985593Z","structure_string":"Zr12 P12 Pd16\n1.0\n3.858730 0.000000 0.000000\n0.000000 10.082510 0.000000\n0.000000 0.000000 16.548983\nZr P Pd\n12 12 16\ndirect\n0.250000 0.023354 0.260396 Zr\n0.750000 0.976646 0.739604 Zr\n0.750000 0.523354 0.239604 Zr\n0.250000 0.476646 0.760396 Zr\n0.250000 0.882999 0.451720 Zr\n0.750000 0.117001 0.548280 Zr\n0.750000 0.382999 0.048280 Zr\n0.250000 0.617001 0.951720 Zr\n0.250000 0.589046 0.560708 Zr\n0.750000 0.410954 0.439292 Zr\n0.750000 0.089046 0.939292 Zr\n0.250000 0.910954 0.060708 Zr\n0.250000 0.180410 0.045108 P\n0.750000 0.819590 0.954892 P\n0.750000 0.680410 0.454892 P\n0.250000 0.319590 0.545108 P\n0.250000 0.536953 0.114178 P\n0.750000 0.463047 0.885822 P\n0.750000 0.036953 0.385822 P\n0.250000 0.963047 0.614178 P\n0.250000 0.388709 0.322614 P\n0.750000 0.611291 0.677386 P\n0.750000 0.888709 0.177386 P\n0.250000 0.111291 0.822614 P\n0.250000 0.311065 0.176164 Pd\n0.750000 0.688935 0.823836 Pd\n0.750000 0.811065 0.323836 Pd\n0.250000 0.188935 0.676164 Pd\n0.250000 0.735455 0.206217 Pd\n0.750000 0.264545 0.793783 Pd\n0.750000 0.235455 0.293783 Pd\n0.250000 0.764545 0.706217 Pd\n0.250000 0.617209 0.371531 Pd\n0.750000 0.382791 0.628469 Pd\n0.750000 0.117209 0.128469 Pd\n0.250000 0.882791 0.871531 Pd\n0.250000 0.182741 0.418626 Pd\n0.750000 0.817259 0.581374 Pd\n0.750000 0.682741 0.081374 Pd\n0.250000 0.317259 0.918626 Pd\n","nsites":40,"nelements":3,"elements":["Zr","P","Pd"],"chemical_system":"P-Pd-Zr","density":8.17334325987505,"density_atomic":0.06212631989181388,"volume":643.8495000131278,"volume_molar":9.693380793336694,"formula_full":"Zr12 P12 Pd16","formula_reduced":"Zr3P3Pd4","formula_anonymous":"A3B3C4","energy":-292.11984961,"energy_per_atom":-7.302996240250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-292.11984961,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012148,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.850000Z","spacegroup":62},{"id":"mp-673017","created_at":"2022-09-04T14:46:24.989837Z","structure_string":"Cu4 P4 O16\n1.0\n9.754202 0.000000 0.000000\n0.000000 4.876899 0.000000\n0.000000 4.814586 6.925586\nCu P O\n4 4 16\ndirect\n0.856706 0.258817 0.522088 Cu\n0.356706 0.741183 0.977912 Cu\n0.143294 0.741183 0.477912 Cu\n0.643294 0.258817 0.022088 Cu\n0.408714 0.954508 0.245139 P\n0.591286 0.045492 0.754861 P\n0.908714 0.045492 0.254861 P\n0.091286 0.954508 0.745139 P\n0.435475 0.026309 0.724959 O\n0.381160 0.664416 0.224116 O\n0.618840 0.335584 0.775884 O\n0.628602 0.715617 0.949575 O\n0.828980 0.106688 0.080928 O\n0.371398 0.284383 0.050425 O\n0.328980 0.893312 0.419072 O\n0.564525 0.973691 0.275041 O\n0.671020 0.106688 0.580928 O\n0.935475 0.973691 0.775041 O\n0.064525 0.026309 0.224959 O\n0.871398 0.715617 0.449575 O\n0.128602 0.284383 0.550425 O\n0.881160 0.335584 0.275884 O\n0.118840 0.664416 0.724116 O\n0.171020 0.893312 0.919072 O\n","nsites":24,"nelements":3,"elements":["Cu","P","O"],"chemical_system":"Cu-O-P","density":3.1959052256725893,"density_atomic":0.07284826427254437,"volume":329.4519126798922,"volume_molar":8.266690799206415,"formula_full":"Cu4 P4 O16","formula_reduced":"CuPO4","formula_anonymous":"ABC4","energy":-159.36375417,"energy_per_atom":-6.64015642375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.37175417,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.6004902,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.306000Z","spacegroup":14},{"id":"mp-1519218","created_at":"2022-09-04T14:46:25.082994Z","structure_string":"Na1 Sr1 Zr1 Bi1 O6\n1.0\n0.000000 -4.191529 -4.191529\n4.191529 0.000000 -4.191529\n4.191529 -4.191529 0.000000\nNa Sr Zr Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Bi\n0.749121 0.250879 0.250879 O\n0.250879 0.749121 0.749121 O\n0.749121 0.250879 0.749121 O\n0.250879 0.749121 0.250879 O\n0.749121 0.749121 0.250879 O\n0.250879 0.250879 0.749121 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Zr","Bi","O"],"chemical_system":"Bi-Na-O-Sr-Zr","density":5.7140934581125356,"density_atomic":0.06789731157605228,"volume":147.28123644187187,"volume_molar":8.869483371597939,"formula_full":"Na1 Sr1 Zr1 Bi1 O6","formula_reduced":"NaSrZrBiO6","formula_anonymous":"ABCDE6","energy":-70.53613215,"energy_per_atom":-7.053613215,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.41413215,"band_gap":1.2369000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.464000Z","spacegroup":216},{"id":"mp-774798","created_at":"2022-09-04T14:46:25.904198Z","structure_string":"Li8 Mn12 Sn4 O32\n1.0\n8.347680 0.000000 0.000000\n0.000000 8.709009 0.000000\n0.000000 0.000000 8.743540\nLi Mn Sn O\n8 12 4 32\ndirect\n0.249789 0.748898 0.746273 Li\n0.000153 0.503749 0.501375 Li\n0.499847 0.496251 0.001375 Li\n0.250211 0.251102 0.246273 Li\n0.750211 0.248898 0.753727 Li\n0.999847 0.003749 0.998625 Li\n0.500153 0.996251 0.498625 Li\n0.749789 0.751102 0.253727 Li\n0.116693 0.627224 0.126739 Mn\n0.866653 0.623996 0.877125 Mn\n0.625073 0.621514 0.628404 Mn\n0.874927 0.378486 0.128404 Mn\n0.633347 0.376004 0.377125 Mn\n0.383307 0.372776 0.626739 Mn\n0.883307 0.127224 0.373261 Mn\n0.133347 0.123996 0.622875 Mn\n0.374927 0.121514 0.871596 Mn\n0.125073 0.878486 0.371596 Mn\n0.366653 0.876004 0.122875 Mn\n0.616693 0.872776 0.873261 Mn\n0.374953 0.624673 0.374433 Sn\n0.125047 0.375327 0.874433 Sn\n0.625047 0.124673 0.125567 Sn\n0.874953 0.875327 0.625567 Sn\n0.127852 0.653140 0.371986 O\n0.350565 0.629496 0.134977 O\n0.634412 0.635214 0.854725 O\n0.099958 0.615809 0.879108 O\n0.856890 0.631667 0.640230 O\n0.884242 0.605150 0.115813 O\n0.622381 0.620996 0.403420 O\n0.393026 0.609233 0.618144 O\n0.106974 0.390767 0.118144 O\n0.877619 0.379004 0.903420 O\n0.615758 0.394850 0.615813 O\n0.643110 0.368333 0.140230 O\n0.400042 0.384191 0.379108 O\n0.865588 0.364786 0.354725 O\n0.149435 0.370504 0.634977 O\n0.372148 0.346860 0.871986 O\n0.872148 0.153140 0.128014 O\n0.649435 0.129496 0.365023 O\n0.365588 0.135214 0.645275 O\n0.900042 0.115809 0.620892 O\n0.143110 0.131667 0.859770 O\n0.115758 0.105150 0.384187 O\n0.377619 0.120996 0.096580 O\n0.606974 0.109233 0.881856 O\n0.893026 0.890767 0.381856 O\n0.122381 0.879004 0.596580 O\n0.384242 0.894850 0.884187 O\n0.356890 0.868333 0.359770 O\n0.599958 0.884191 0.120892 O\n0.134412 0.864786 0.145275 O\n0.850565 0.870504 0.865023 O\n0.627852 0.846860 0.628014 O\n","nsites":56,"nelements":4,"elements":["Li","Mn","Sn","O"],"chemical_system":"Li-Mn-O-Sn","density":4.445146761425439,"density_atomic":0.08809802937637289,"volume":635.6555350489906,"volume_molar":6.835726976675241,"formula_full":"Li8 Mn12 Sn4 O32","formula_reduced":"Li2Mn3SnO8","formula_anonymous":"AB2C3D8","energy":-416.22507768,"energy_per_atom":-7.432590672857144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-374.22507768,"band_gap":0.2541000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":44.0023706,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.751000Z","spacegroup":96}]}