{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=52","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=50","results":[{"id":"mp-1036735","created_at":"2022-09-04T14:39:12.434255Z","structure_string":"Mg30 V1 Cd1 O32\n1.0\n8.571304 0.000000 0.000000\n0.000000 8.571304 0.000000\n0.000000 0.000000 8.569593\nMg V Cd O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248159 0.248159 0.000000 Mg\n0.751841 0.248159 0.000000 Mg\n0.248159 0.751841 0.000000 Mg\n0.751841 0.751841 0.000000 Mg\n0.249834 0.249834 0.500000 Mg\n0.750166 0.249834 0.500000 Mg\n0.249834 0.750166 0.500000 Mg\n0.750166 0.750166 0.500000 Mg\n0.250366 0.000000 0.250497 Mg\n0.749634 0.000000 0.250497 Mg\n0.247629 0.500000 0.252211 Mg\n0.752371 0.500000 0.252211 Mg\n0.250366 0.000000 0.749503 Mg\n0.749634 0.000000 0.749503 Mg\n0.247629 0.500000 0.747789 Mg\n0.752371 0.500000 0.747789 Mg\n0.000000 0.250366 0.250497 Mg\n0.500000 0.247629 0.252211 Mg\n0.000000 0.749634 0.250497 Mg\n0.500000 0.752371 0.252211 Mg\n0.000000 0.250366 0.749503 Mg\n0.500000 0.247629 0.747789 Mg\n0.000000 0.749634 0.749503 Mg\n0.500000 0.752371 0.747789 Mg\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.255119 O\n0.500000 0.000000 0.252191 O\n0.000000 0.500000 0.252191 O\n0.500000 0.500000 0.263897 O\n0.000000 0.000000 0.744881 O\n0.500000 0.000000 0.747809 O\n0.000000 0.500000 0.747809 O\n0.500000 0.500000 0.736103 O\n0.250201 0.250201 0.249358 O\n0.749799 0.250201 0.249358 O\n0.250201 0.749799 0.249358 O\n0.749799 0.749799 0.249358 O\n0.250201 0.250201 0.750642 O\n0.749799 0.250201 0.750642 O\n0.250201 0.749799 0.750642 O\n0.749799 0.749799 0.750642 O\n0.253408 0.000000 0.000000 O\n0.746592 0.000000 0.000000 O\n0.236513 0.500000 0.000000 O\n0.763487 0.500000 0.000000 O\n0.249843 0.000000 0.500000 O\n0.750157 0.000000 0.500000 O\n0.248201 0.500000 0.500000 O\n0.751799 0.500000 0.500000 O\n0.000000 0.253408 0.000000 O\n0.500000 0.236513 0.000000 O\n0.000000 0.746592 0.000000 O\n0.500000 0.763487 0.000000 O\n0.000000 0.249843 0.500000 O\n0.500000 0.248201 0.500000 O\n0.000000 0.750157 0.500000 O\n0.500000 0.751799 0.500000 O\n","nsites":64,"nelements":4,"elements":["Mg","V","Cd","O"],"chemical_system":"Cd-Mg-O-V","density":3.70434718558232,"density_atomic":0.10165435300829348,"volume":629.584450700095,"volume_molar":5.924134660036332,"formula_full":"Mg30 V1 Cd1 O32","formula_reduced":"Mg30VCdO32","formula_anonymous":"ABC30D32","energy":-405.55596955,"energy_per_atom":-6.33681202421875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-381.87196955,"band_gap":1.7467000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.004524,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.281000Z","spacegroup":123},{"id":"mp-645158","created_at":"2022-09-04T14:39:12.437346Z","structure_string":"La4 Mn4 O12\n1.0\n10.297857 0.000000 0.000000\n0.000000 5.674393 0.000000\n0.000000 1.996465 5.703882\nLa Mn O\n4 4 12\ndirect\n0.667733 0.028421 0.498110 La\n0.167733 0.971579 0.001890 La\n0.832267 0.028421 0.998110 La\n0.332267 0.971579 0.501890 La\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.373505 0.225313 0.065524 O\n0.141447 0.741102 0.419980 O\n0.005682 0.167492 0.147767 O\n0.626495 0.774687 0.934476 O\n0.858553 0.258898 0.580020 O\n0.505682 0.832508 0.352233 O\n0.126495 0.225313 0.565524 O\n0.358553 0.741102 0.919980 O\n0.994318 0.832508 0.852233 O\n0.494318 0.167492 0.647767 O\n0.873505 0.774687 0.434476 O\n0.641447 0.258898 0.080020 O\n","nsites":20,"nelements":3,"elements":["La","Mn","O"],"chemical_system":"La-Mn-O","density":4.8195168444997165,"density_atomic":0.06000579520120905,"volume":333.3011408804232,"volume_molar":10.035931929252495,"formula_full":"La4 Mn4 O12","formula_reduced":"LaMnO3","formula_anonymous":"ABC3","energy":-170.04589602,"energy_per_atom":-8.502294801,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.12989602,"band_gap":0.6482999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0006786,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.420000Z","spacegroup":14},{"id":"mp-1222458","created_at":"2022-09-04T14:39:12.376503Z","structure_string":"Li2 B24 P2 C2\n1.0\n-2.886409 4.070458 5.088052\n2.886409 -4.070458 5.088052\n2.886409 4.070458 -5.088052\nLi B P C\n2 24 2 2\ndirect\n0.065445 0.748252 0.817194 Li\n0.931058 0.248252 0.182806 Li\n0.866103 0.832362 0.533741 B\n0.298621 0.332362 0.466259 B\n0.143182 0.166314 0.476867 B\n0.689447 0.666314 0.523133 B\n0.269591 0.089711 0.679880 B\n0.409831 0.589711 0.320120 B\n0.752226 0.911540 0.340686 B\n0.570853 0.411540 0.659314 B\n0.105204 0.780117 0.508448 B\n0.271669 0.596756 0.491552 B\n0.271669 0.280117 0.174914 B\n0.105204 0.096756 0.825086 B\n0.901301 0.222832 0.502847 B\n0.719985 0.398454 0.497153 B\n0.719985 0.722832 0.821531 B\n0.901301 0.898454 0.178469 B\n0.134023 0.824774 0.295522 B\n0.529252 0.838501 0.704478 B\n0.529252 0.324774 0.190751 B\n0.134023 0.338501 0.809249 B\n0.882624 0.162337 0.704922 B\n0.457415 0.177702 0.295078 B\n0.457415 0.662337 0.779713 B\n0.882624 0.677702 0.220287 B\n0.458507 0.828337 0.130170 P\n0.698167 0.328337 0.869830 P\n0.517525 0.144941 0.872584 C\n0.272357 0.644941 0.127416 C\n","nsites":30,"nelements":4,"elements":["Li","B","P","C"],"chemical_system":"B-C-Li-P","density":2.4952362600467897,"density_atomic":0.12546095073399144,"volume":239.11822622488728,"volume_molar":4.800012055359315,"formula_full":"Li2 B24 P2 C2","formula_reduced":"LiB12PC","formula_anonymous":"ABCD12","energy":-201.59113675,"energy_per_atom":-6.7197045583333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-201.59113675,"band_gap":2.4016,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005849,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.964000Z","spacegroup":46},{"id":"mp-1247677","created_at":"2022-09-04T14:39:12.390816Z","structure_string":"Ca8 Mn6 Al2 O20\n1.0\n7.947905 0.000000 -0.143404\n0.000000 7.550163 0.000000\n-0.133328 0.000000 7.603847\nCa Mn Al O\n8 6 2 20\ndirect\n0.293582 0.257803 0.221439 Ca\n0.229595 0.266101 0.740477 Ca\n0.293582 0.742197 0.221439 Ca\n0.229595 0.733899 0.740477 Ca\n0.742617 0.269423 0.264319 Ca\n0.777429 0.264834 0.726000 Ca\n0.742617 0.730577 0.264319 Ca\n0.777429 0.735166 0.726000 Ca\n0.995951 0.500000 0.977031 Mn\n0.997852 0.500000 0.473737 Mn\n0.550818 0.000000 0.998431 Mn\n0.490253 0.000000 0.532501 Mn\n0.497370 0.500000 0.981853 Mn\n0.498827 0.500000 0.490886 Mn\n0.987265 0.000000 0.039529 Al\n0.050902 0.000000 0.451250 Al\n0.951407 0.500000 0.223463 O\n0.024095 0.500000 0.723827 O\n0.481772 0.000000 0.257458 O\n0.633590 0.000000 0.759871 O\n0.523253 0.500000 0.238934 O\n0.125870 0.000000 0.231389 O\n0.235261 0.000000 0.593403 O\n0.252548 0.500000 0.997208 O\n0.251232 0.500000 0.465255 O\n0.784650 0.000000 0.124348 O\n0.732748 0.500000 0.928995 O\n0.740548 0.500000 0.510835 O\n0.017940 0.202163 0.929384 O\n0.943904 0.201280 0.484950 O\n0.017940 0.797837 0.929384 O\n0.943904 0.798720 0.484950 O\n0.466567 0.242500 0.969145 O\n0.500259 0.253529 0.539187 O\n0.466567 0.757500 0.969145 O\n0.500259 0.746471 0.539187 O\n","nsites":36,"nelements":4,"elements":["Ca","Mn","Al","O"],"chemical_system":"Al-Ca-Mn-O","density":3.7284673418768284,"density_atomic":0.07892190432257253,"volume":456.1471280882867,"volume_molar":7.630506146159478,"formula_full":"Ca8 Mn6 Al2 O20","formula_reduced":"Ca4Mn3AlO10","formula_anonymous":"AB3C4D10","energy":-276.94951707,"energy_per_atom":-7.693042140833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.20151707,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0002487,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.255000Z","spacegroup":6},{"id":"mp-9947","created_at":"2022-09-04T14:39:12.405384Z","structure_string":"Si7 C7\n1.0\n17.732397 -1.547739 0.000000\n17.732397 1.547739 0.000000\n17.597306 0.000000 2.677356\nSi C\n7 7\ndirect\n0.809526 0.809526 0.809526 Si\n0.714227 0.714227 0.714227 Si\n0.571424 0.571424 0.571424 Si\n0.428549 0.428549 0.428549 Si\n0.285734 0.285734 0.285734 Si\n0.190435 0.190435 0.190435 Si\n0.999982 0.999982 0.999982 Si\n0.845245 0.845245 0.845245 C\n0.749944 0.749944 0.749944 C\n0.607245 0.607245 0.607245 C\n0.464371 0.464371 0.464371 C\n0.321452 0.321452 0.321452 C\n0.226151 0.226151 0.226151 C\n0.035712 0.035712 0.035712 C\n","nsites":14,"nelements":2,"elements":["Si","C"],"chemical_system":"C-Si","density":3.1713856995691136,"density_atomic":0.09526354663861572,"volume":146.96072625879967,"volume_molar":6.321558426587998,"formula_full":"Si7 C7","formula_reduced":"SiC","formula_anonymous":"AB","energy":-105.30280962,"energy_per_atom":-7.521629258571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.30280962,"band_gap":1.8487999999999989,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008064,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.693000Z","spacegroup":160},{"id":"mp-1233688","created_at":"2022-09-04T14:39:12.421956Z","structure_string":"Sr8 Mg1 P4 I4 O16\n1.0\n-0.101708 -0.009159 -9.225762\n0.040062 -8.945494 -0.041373\n-8.889762 0.032775 3.654445\nSr Mg P I O\n8 1 4 4 16\ndirect\n0.952681 0.803520 0.839154 Sr\n0.754234 0.290952 0.294832 Sr\n0.010102 0.188128 0.096353 Sr\n0.469762 0.699235 0.863583 Sr\n0.442305 0.838538 0.222909 Sr\n0.039110 0.330065 0.753639 Sr\n0.522754 0.180775 0.769871 Sr\n0.958191 0.679658 0.222881 Sr\n0.390064 0.302834 0.202065 Mg\n0.219890 0.568639 0.020843 P\n0.247468 0.057225 0.944256 P\n0.760192 0.455372 0.941080 P\n0.732832 0.949156 0.043817 P\n0.165576 0.311192 0.462948 I\n0.290259 0.823641 0.500276 I\n0.803188 0.604350 0.495628 I\n0.734414 0.050513 0.546149 I\n0.142499 0.584901 0.847050 O\n0.295275 0.090767 0.117772 O\n0.839480 0.429619 0.115812 O\n0.635118 0.933948 0.873312 O\n0.793106 0.619640 0.913942 O\n0.727536 0.114576 0.092536 O\n0.187416 0.404113 0.057946 O\n0.302549 0.897036 0.930246 O\n0.308734 0.176466 0.864469 O\n0.147393 0.685751 0.097011 O\n0.673176 0.833881 0.130412 O\n0.831011 0.334478 0.866018 O\n0.909183 0.915402 0.074424 O\n0.580890 0.432998 0.882013 O\n0.064501 0.070288 0.877578 O\n0.397236 0.599487 0.074890 O\n","nsites":33,"nelements":5,"elements":["Sr","Mg","P","I","O"],"chemical_system":"I-Mg-O-P-Sr","density":3.633867087375608,"density_atomic":0.04477771159818428,"volume":736.9737939296152,"volume_molar":13.4489694650769,"formula_full":"Sr8 Mg1 P4 I4 O16","formula_reduced":"Sr8MgP4(IO4)4","formula_anonymous":"AB4C4D8E16","energy":-218.25904445,"energy_per_atom":-6.613910437878788,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-205.75104445,"band_gap":1.3797,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.179000Z","spacegroup":1},{"id":"mp-1392145","created_at":"2022-09-04T14:39:12.435761Z","structure_string":"Sn2 O4\n1.0\n1.970298 -3.412656 0.000000\n1.970298 3.412656 0.000000\n0.000000 0.000000 11.261042\nSn O\n2 4\ndirect\n0.666667 0.333333 0.750000 Sn\n0.333333 0.666667 0.250000 Sn\n0.333333 0.666667 0.412722 O\n0.666667 0.333333 0.912722 O\n0.333333 0.666667 0.087278 O\n0.666667 0.333333 0.587278 O\n","nsites":6,"nelements":2,"elements":["Sn","O"],"chemical_system":"O-Sn","density":3.305100740779426,"density_atomic":0.039620344453341075,"volume":151.43735075463323,"volume_molar":15.199617376098228,"formula_full":"Sn2 O4","formula_reduced":"SnO2","formula_anonymous":"AB2","energy":-29.33739768,"energy_per_atom":-4.8895662799999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.58939768,"band_gap":0.8164,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037204,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.819000Z","spacegroup":194},{"id":"mp-556045","created_at":"2022-09-04T14:39:12.441034Z","structure_string":"K2 Cu2 F6\n1.0\n-3.553396 3.553396 3.848610\n3.553396 -3.553396 3.848610\n3.553396 3.553396 -3.848610\nK Cu F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.750000 0.250000 0.500000 F\n0.186160 0.686160 0.872319 F\n0.313840 0.186160 0.500000 F\n0.250000 0.750000 0.500000 F\n0.813840 0.313840 0.127681 F\n0.686160 0.813840 0.500000 F\n","nsites":10,"nelements":3,"elements":["K","Cu","F"],"chemical_system":"Cu-F-K","density":2.7275226425040953,"density_atomic":0.05144567696956622,"volume":194.37979222074796,"volume_molar":11.705824696528971,"formula_full":"K2 Cu2 F6","formula_reduced":"KCuF3","formula_anonymous":"ABC3","energy":-44.17160947,"energy_per_atom":-4.417160947,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.39960947,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063919,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.437000Z","spacegroup":140},{"id":"mp-1213557","created_at":"2022-09-04T14:39:12.547106Z","structure_string":"Dy4 S6 O40\n1.0\n3.331570 6.785853 0.000000\n-3.331570 6.785853 0.000000\n0.000000 2.595246 17.986785\nDy S O\n4 6 40\ndirect\n0.815256 0.844471 0.892774 Dy\n0.184744 0.155529 0.107226 Dy\n0.155529 0.184744 0.607226 Dy\n0.844471 0.815256 0.392774 Dy\n0.753039 0.804863 0.591867 S\n0.246961 0.195137 0.408133 S\n0.195137 0.246961 0.908133 S\n0.804863 0.753039 0.091867 S\n0.720082 0.279918 0.750000 S\n0.279918 0.720082 0.250000 S\n0.341767 0.279542 0.688314 O\n0.658233 0.720458 0.311686 O\n0.720458 0.658233 0.811686 O\n0.279542 0.341767 0.188314 O\n0.301314 0.386398 0.576051 O\n0.698686 0.613602 0.423949 O\n0.613602 0.698686 0.923949 O\n0.386398 0.301314 0.076051 O\n0.521727 0.877947 0.615072 O\n0.478273 0.122053 0.384928 O\n0.122053 0.478273 0.884928 O\n0.877947 0.521727 0.115072 O\n0.757963 0.897094 0.515065 O\n0.242037 0.102906 0.484935 O\n0.102906 0.242037 0.984935 O\n0.897094 0.757963 0.015065 O\n0.550763 0.376028 0.692634 O\n0.449237 0.623972 0.307366 O\n0.623972 0.449237 0.807366 O\n0.376028 0.550763 0.192634 O\n0.814952 0.883617 0.647050 O\n0.185048 0.116383 0.352950 O\n0.116383 0.185048 0.852950 O\n0.883617 0.814952 0.147050 O\n0.444631 0.096595 0.907834 O\n0.555369 0.903405 0.092166 O\n0.903405 0.555369 0.592166 O\n0.096595 0.444631 0.407834 O\n0.101955 0.880558 0.616559 O\n0.898045 0.119442 0.383441 O\n0.119442 0.898045 0.883441 O\n0.880558 0.101955 0.116559 O\n0.821709 0.107986 0.945164 O\n0.178291 0.892014 0.054836 O\n0.892014 0.178291 0.554836 O\n0.107986 0.821709 0.445164 O\n0.768169 0.069204 0.787617 O\n0.231831 0.930796 0.212383 O\n0.930796 0.231831 0.712383 O\n0.069204 0.768169 0.287617 O\n","nsites":50,"nelements":3,"elements":["Dy","S","O"],"chemical_system":"Dy-O-S","density":3.026687711626111,"density_atomic":0.06147988904991627,"volume":813.2740766562606,"volume_molar":9.795301932166062,"formula_full":"Dy4 S6 O40","formula_reduced":"Dy2S3O20","formula_anonymous":"A2B3C20","energy":-298.66035828,"energy_per_atom":-5.973207165600001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.18035828,"band_gap":0.4167999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.1027368,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.511000Z","spacegroup":15},{"id":"mp-560681","created_at":"2022-09-04T14:39:12.413988Z","structure_string":"Nd4 P20 O56\n1.0\n8.915637 0.000000 0.000000\n0.000000 9.173806 0.000000\n0.000000 0.000000 13.184359\nNd P O\n4 20 56\ndirect\n0.276659 0.688456 0.000000 Nd\n0.276659 0.811544 0.500000 Nd\n0.723341 0.311544 0.000000 Nd\n0.723341 0.188456 0.500000 Nd\n0.763570 0.951365 0.836176 P\n0.000000 0.000000 0.674565 P\n0.236430 0.048635 0.836176 P\n0.236430 0.451365 0.336176 P\n0.236430 0.451365 0.663824 P\n0.684937 0.746257 0.000000 P\n0.500000 0.000000 0.296590 P\n0.763570 0.951365 0.163824 P\n0.500000 0.500000 0.796590 P\n0.315063 0.246257 0.500000 P\n0.000000 0.500000 0.174565 P\n0.763570 0.548635 0.663824 P\n0.763570 0.548635 0.336176 P\n0.684937 0.753743 0.500000 P\n0.000000 0.000000 0.325435 P\n0.500000 0.500000 0.203410 P\n0.500000 0.000000 0.703410 P\n0.315063 0.253743 0.000000 P\n0.000000 0.500000 0.825435 P\n0.236430 0.048635 0.163824 P\n0.081480 0.617568 0.119861 O\n0.586434 0.384927 0.149663 O\n0.468766 0.189342 0.000000 O\n0.531234 0.689342 0.500000 O\n0.712311 0.913475 0.500000 O\n0.287689 0.086525 0.500000 O\n0.887751 0.918061 0.245566 O\n0.226607 0.906022 0.887621 O\n0.609494 0.584837 0.717603 O\n0.918520 0.382432 0.880139 O\n0.226607 0.593978 0.387621 O\n0.287689 0.413475 0.000000 O\n0.887751 0.918061 0.754434 O\n0.586434 0.384927 0.850337 O\n0.609494 0.915163 0.217603 O\n0.586434 0.115073 0.649663 O\n0.918520 0.117568 0.619861 O\n0.413566 0.884927 0.649663 O\n0.112249 0.418061 0.745566 O\n0.413566 0.615073 0.149663 O\n0.390506 0.415163 0.717603 O\n0.609494 0.915163 0.782397 O\n0.784282 0.813194 0.093846 O\n0.609494 0.584837 0.282397 O\n0.226607 0.906022 0.112379 O\n0.215718 0.186806 0.093846 O\n0.390506 0.084837 0.217603 O\n0.773393 0.406022 0.387621 O\n0.784282 0.813194 0.906154 O\n0.918520 0.382432 0.119861 O\n0.773393 0.093978 0.112379 O\n0.918520 0.117568 0.380139 O\n0.112249 0.081939 0.754434 O\n0.887751 0.581939 0.254434 O\n0.215718 0.313194 0.406154 O\n0.112249 0.418061 0.254434 O\n0.081480 0.882432 0.619861 O\n0.215718 0.313194 0.593846 O\n0.773393 0.406022 0.612379 O\n0.784282 0.686806 0.406154 O\n0.390506 0.415163 0.282397 O\n0.112249 0.081939 0.245566 O\n0.215718 0.186806 0.906154 O\n0.390506 0.084837 0.782397 O\n0.413566 0.615073 0.850337 O\n0.531234 0.810658 0.000000 O\n0.784282 0.686806 0.593846 O\n0.887751 0.581939 0.745566 O\n0.468766 0.310658 0.500000 O\n0.081480 0.882432 0.380139 O\n0.413566 0.884927 0.350337 O\n0.586434 0.115073 0.350337 O\n0.226607 0.593978 0.612379 O\n0.712311 0.586525 0.000000 O\n0.773393 0.093978 0.887621 O\n0.081480 0.617568 0.880139 O\n","nsites":80,"nelements":3,"elements":["Nd","P","O"],"chemical_system":"Nd-O-P","density":3.222069174097774,"density_atomic":0.07418720977247749,"volume":1078.352997037489,"volume_molar":8.117491921409528,"formula_full":"Nd4 P20 O56","formula_reduced":"NdP5O14","formula_anonymous":"AB5C14","energy":-630.3309792,"energy_per_atom":-7.87913724,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-591.8589792,"band_gap":5.5926,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001396,"is_theoretical":false,"updated_at":"2021-11-28T01:34:34.195000Z","spacegroup":53},{"id":"mp-1024941","created_at":"2022-09-04T14:39:12.423297Z","structure_string":"Y1 B2 Rh3\n1.0\n2.724764 -4.719430 0.000000\n2.724764 4.719430 0.000000\n0.000000 0.000000 3.132890\nY B Rh\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Y\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.500000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n","nsites":6,"nelements":3,"elements":["Y","B","Rh"],"chemical_system":"B-Rh-Y","density":8.640178846995385,"density_atomic":0.07446593838580579,"volume":80.57375130243013,"volume_molar":8.08710786507446,"formula_full":"Y1 B2 Rh3","formula_reduced":"YB2Rh3","formula_anonymous":"AB2C3","energy":-46.10382696,"energy_per_atom":-7.68397116,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.10382696,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.22e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.304000Z","spacegroup":191},{"id":"mp-558690","created_at":"2022-09-04T14:39:10.656524Z","structure_string":"Zn2 B8 O14\n1.0\n3.274346 -5.456846 0.000000\n3.274346 5.456846 0.000000\n0.000000 0.000000 5.221128\nZn B O\n2 8 14\ndirect\n0.766103 0.766103 0.750000 Zn\n0.233897 0.233897 0.250000 Zn\n0.702429 0.297571 0.500000 B\n0.297571 0.702429 0.000000 B\n0.702429 0.297571 0.000000 B\n0.689564 0.924631 0.250000 B\n0.924631 0.689564 0.250000 B\n0.297571 0.702429 0.500000 B\n0.075369 0.310436 0.750000 B\n0.310436 0.075369 0.750000 B\n0.920341 0.920341 0.250000 O\n0.445806 0.189307 0.976941 O\n0.079659 0.079659 0.750000 O\n0.554194 0.810693 0.023059 O\n0.810693 0.554194 0.476941 O\n0.195503 0.754926 0.250000 O\n0.445806 0.189307 0.523059 O\n0.189307 0.445806 0.976941 O\n0.245074 0.804497 0.750000 O\n0.810693 0.554194 0.023059 O\n0.754926 0.195503 0.250000 O\n0.189307 0.445806 0.523059 O\n0.804497 0.245074 0.750000 O\n0.554194 0.810693 0.476941 O\n","nsites":24,"nelements":3,"elements":["Zn","B","O"],"chemical_system":"B-O-Zn","density":3.927534964640923,"density_atomic":0.1286324787901658,"volume":186.57807286097986,"volume_molar":4.681664239576486,"formula_full":"Zn2 B8 O14","formula_reduced":"ZnB4O7","formula_anonymous":"AB4C7","energy":-188.32436546,"energy_per_atom":-7.846848560833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.70636546,"band_gap":5.3796,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004709,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.085000Z","spacegroup":63}]}