{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=12135","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=12133","results":[{"id":"mp-10128","created_at":"2022-09-04T14:41:58.444404Z","structure_string":"Th2 Ge4\n1.0\n-2.034531 2.034531 8.402941\n2.034531 -2.034531 8.402941\n2.034531 2.034531 -8.402941\nTh Ge\n2 4\ndirect\n0.500000 0.500000 0.000000 Th\n0.250000 0.750000 0.500000 Th\n0.829909 0.329909 0.500000 Ge\n0.079909 0.079909 0.000000 Ge\n0.670091 0.170091 0.500000 Ge\n0.920091 0.920091 0.000000 Ge\n","nsites":6,"nelements":2,"elements":["Th","Ge"],"chemical_system":"Ge-Th","density":9.006721983652044,"density_atomic":0.04312521981361013,"volume":139.1297256207011,"volume_molar":13.964313193134005,"formula_full":"Th2 Ge4","formula_reduced":"ThGe2","formula_anonymous":"AB2","energy":-36.44560446,"energy_per_atom":-6.07426741,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.44560446,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007265,"is_theoretical":false,"updated_at":"2021-11-28T01:35:37.136000Z","spacegroup":141},{"id":"mp-1012791","created_at":"2022-09-04T14:41:53.595715Z","structure_string":"Na2 V6 P6 O26\n1.0\n6.387306 0.000000 0.000000\n0.000000 7.472451 0.000000\n0.000000 1.727389 10.541972\nNa V P O\n2 6 6 26\ndirect\n0.750000 0.343011 0.184414 Na\n0.250000 0.656989 0.815586 Na\n0.250000 0.643587 0.198009 V\n0.750000 0.356413 0.801991 V\n0.250000 0.225450 0.446146 V\n0.500000 0.000000 0.000000 V\n0.750000 0.774550 0.553854 V\n0.000000 0.000000 0.000000 V\n0.250000 0.780142 0.476950 P\n0.750000 0.219858 0.523050 P\n0.250000 0.255734 0.769142 P\n0.750000 0.744266 0.230858 P\n0.750000 0.691588 0.878483 P\n0.250000 0.308412 0.121517 P\n0.750000 0.650305 0.739927 O\n0.555483 0.267686 0.438523 O\n0.250000 0.193825 0.640846 O\n0.549719 0.795999 0.903219 O\n0.750000 0.344455 0.626949 O\n0.750000 0.137855 0.905088 O\n0.250000 0.655545 0.373051 O\n0.049719 0.204001 0.096781 O\n0.250000 0.979842 0.410464 O\n0.750000 0.020158 0.589536 O\n0.058731 0.373197 0.793264 O\n0.250000 0.862145 0.094912 O\n0.558731 0.626803 0.206736 O\n0.750000 0.493236 0.950924 O\n0.750000 0.806175 0.359154 O\n0.450281 0.204001 0.096781 O\n0.944517 0.267686 0.438523 O\n0.444517 0.732314 0.561477 O\n0.441269 0.373197 0.793264 O\n0.250000 0.349695 0.260073 O\n0.750000 0.916091 0.121979 O\n0.250000 0.083909 0.878021 O\n0.941269 0.626803 0.206736 O\n0.950281 0.795999 0.903219 O\n0.055483 0.732314 0.561477 O\n0.250000 0.506764 0.049076 O\n","nsites":40,"nelements":4,"elements":["Na","V","P","O"],"chemical_system":"Na-O-P-V","density":3.1466386568319287,"density_atomic":0.0794982071380258,"volume":503.1560011227862,"volume_molar":7.575190657500342,"formula_full":"Na2 V6 P6 O26","formula_reduced":"NaV3P3O13","formula_anonymous":"AB3C3D13","energy":-325.19178314,"energy_per_atom":-8.1297945785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-297.12978314,"band_gap":1.4356,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9999996,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.137000Z","spacegroup":11},{"id":"mp-1012789","created_at":"2022-09-04T14:43:53.988955Z","structure_string":"Li2 Cr6 P6 O26\n1.0\n6.313545 0.000000 0.000000\n0.000000 7.302735 -1.323233\n0.000000 0.026107 10.518358\nLi Cr P O\n2 6 6 26\ndirect\n0.750000 0.615483 0.138667 Li\n0.250000 0.384517 0.861333 Li\n0.250000 0.364001 0.197908 Cr\n0.750000 0.635999 0.802092 Cr\n0.250000 0.769416 0.448641 Cr\n0.500000 0.000000 0.000000 Cr\n0.750000 0.230584 0.551359 Cr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.212576 0.477955 P\n0.750000 0.787424 0.522045 P\n0.250000 0.732248 0.770295 P\n0.750000 0.267752 0.229705 P\n0.750000 0.304435 0.877644 P\n0.250000 0.695565 0.122357 P\n0.750000 0.351932 0.738124 O\n0.554803 0.738423 0.435089 O\n0.250000 0.791738 0.639106 O\n0.544800 0.202529 0.900296 O\n0.750000 0.665500 0.626898 O\n0.750000 0.867061 0.907364 O\n0.250000 0.334500 0.373102 O\n0.044800 0.797471 0.099704 O\n0.250000 0.010536 0.409026 O\n0.750000 0.989464 0.590974 O\n0.060122 0.615069 0.797735 O\n0.250000 0.132939 0.092636 O\n0.560122 0.384931 0.202265 O\n0.750000 0.504027 0.954867 O\n0.750000 0.208262 0.360894 O\n0.455200 0.797471 0.099704 O\n0.945197 0.738423 0.435089 O\n0.445197 0.261577 0.564911 O\n0.439878 0.615069 0.797735 O\n0.250000 0.648068 0.261876 O\n0.750000 0.087936 0.120471 O\n0.250000 0.912064 0.879529 O\n0.939878 0.384931 0.202265 O\n0.955200 0.202529 0.900296 O\n0.054803 0.261577 0.564911 O\n0.250000 0.495973 0.045133 O\n","nsites":40,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":3.175030158647891,"density_atomic":0.08244378964742748,"volume":485.17905558515446,"volume_molar":7.30454141634416,"formula_full":"Li2 Cr6 P6 O26","formula_reduced":"LiCr3P3O13","formula_anonymous":"AB3C3D13","energy":-323.69895981,"energy_per_atom":-8.09247399525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-293.84295981,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9999346,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.836000Z","spacegroup":11},{"id":"mp-1012742","created_at":"2022-09-04T14:46:30.304918Z","structure_string":"Na2 Mn6 P6 O26\n1.0\n6.262432 0.000000 0.000000\n0.000000 7.550796 0.000000\n0.000000 1.669044 10.333815\nNa Mn P O\n2 6 6 26\ndirect\n0.750000 0.327477 0.200985 Na\n0.250000 0.672523 0.799015 Na\n0.250000 0.638737 0.198371 Mn\n0.750000 0.361263 0.801629 Mn\n0.250000 0.234836 0.444445 Mn\n0.500000 0.000000 0.000000 Mn\n0.750000 0.765164 0.555555 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.789152 0.475665 P\n0.750000 0.210848 0.524335 P\n0.250000 0.259806 0.765723 P\n0.750000 0.740194 0.234277 P\n0.750000 0.688852 0.883193 P\n0.250000 0.311148 0.116807 P\n0.750000 0.645251 0.740986 O\n0.556926 0.257212 0.430202 O\n0.250000 0.205927 0.631756 O\n0.546226 0.791884 0.907860 O\n0.750000 0.346947 0.621742 O\n0.750000 0.125225 0.903971 O\n0.250000 0.653053 0.378258 O\n0.046226 0.208116 0.092140 O\n0.250000 0.979860 0.403575 O\n0.750000 0.020140 0.596425 O\n0.058149 0.377411 0.793953 O\n0.250000 0.874775 0.096029 O\n0.558149 0.622589 0.206047 O\n0.750000 0.490909 0.954645 O\n0.750000 0.794073 0.368244 O\n0.453774 0.208116 0.092140 O\n0.943074 0.257212 0.430202 O\n0.443074 0.742788 0.569798 O\n0.441851 0.377411 0.793953 O\n0.250000 0.354749 0.259014 O\n0.750000 0.916320 0.131956 O\n0.250000 0.083680 0.868044 O\n0.941851 0.622589 0.206047 O\n0.953774 0.791884 0.907860 O\n0.056926 0.742788 0.569798 O\n0.250000 0.509091 0.045355 O\n","nsites":40,"nelements":4,"elements":["Na","Mn","P","O"],"chemical_system":"Mn-Na-O-P","density":3.3215473169444114,"density_atomic":0.08185845598451877,"volume":488.6483567142395,"volume_molar":7.356772965689604,"formula_full":"Na2 Mn6 P6 O26","formula_reduced":"NaMn3P3O13","formula_anonymous":"AB3C3D13","energy":-314.63239122,"energy_per_atom":-7.865809780499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.76239122,"band_gap":0.9349999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.9996195,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.128000Z","spacegroup":11},{"id":"mp-1012740","created_at":"2022-09-04T14:41:19.282812Z","structure_string":"H24 Ru4 C4 I12 N4\n1.0\n7.684180 0.000000 0.000000\n0.019775 7.696398 0.000000\n0.150254 0.003895 13.734870\nH Ru C I N\n24 4 4 12 4\ndirect\n0.088532 0.387951 0.721096 H\n0.043944 0.614338 0.698511 H\n0.950697 0.424289 0.882369 H\n0.913495 0.631983 0.861272 H\n0.117867 0.560138 0.868519 H\n0.591342 0.939569 0.692259 H\n0.517227 0.154389 0.720565 H\n0.496545 0.843719 0.850797 H\n0.417018 0.040899 0.880257 H\n0.628913 0.013314 0.865320 H\n0.507291 0.859464 0.213104 H\n0.618538 0.062923 0.204059 H\n0.393889 0.951212 0.372288 H\n0.495996 0.141312 0.362735 H\n0.608746 0.957344 0.371866 H\n0.089119 0.429720 0.193011 H\n0.013400 0.646197 0.215898 H\n0.994650 0.351202 0.356350 H\n0.923803 0.552677 0.379646 H\n0.135326 0.514022 0.362038 H\n0.385562 0.057185 0.203566 H\n0.362223 0.981929 0.709276 H\n0.868558 0.462582 0.711987 H\n0.861667 0.470606 0.211000 H\n0.001441 0.004525 0.090571 Ru\n0.493460 0.497633 0.447154 Ru\n0.995840 0.008887 0.488283 Ru\n0.498520 0.495157 0.053199 Ru\n0.992814 0.508778 0.232044 C\n0.493794 0.015873 0.732185 C\n0.503072 0.997025 0.232617 C\n0.999724 0.496281 0.735624 C\n0.002526 0.018745 0.289069 I\n0.497555 0.510894 0.848721 I\n0.986604 0.996207 0.691988 I\n0.485102 0.477766 0.250950 I\n0.247599 0.234588 0.019054 I\n0.755206 0.732412 0.502148 I\n0.765982 0.246304 0.019621 I\n0.262986 0.754235 0.509083 I\n0.754795 0.761616 0.033315 I\n0.250069 0.263539 0.520459 I\n0.241895 0.755868 0.032951 I\n0.730131 0.253604 0.516699 I\n0.012522 0.480524 0.338154 N\n0.509792 0.976932 0.837909 N\n0.500072 0.012782 0.340222 N\n0.995374 0.530192 0.842354 N\n","nsites":48,"nelements":5,"elements":["H","Ru","C","I","N"],"chemical_system":"C-H-I-N-Ru","density":4.201791893208314,"density_atomic":0.059092401038956445,"volume":812.2871833953096,"volume_molar":10.191057824896854,"formula_full":"H24 Ru4 C4 I12 N4","formula_reduced":"H6RuCI3N","formula_anonymous":"ABCD3E6","energy":-218.96570366000003,"energy_per_atom":-4.561785492916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-212.97370366,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0046449,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.910000Z","spacegroup":1},{"id":"mp-1012686","created_at":"2022-09-04T14:39:49.520485Z","structure_string":"Na12 V8 Ge12 O48\n1.0\n-6.155656 6.155656 6.155656\n6.155656 -6.155656 6.155656\n6.155656 6.155656 -6.155656\nNa V Ge O\n12 8 12 48\ndirect\n0.750000 0.625000 0.875000 Na\n0.250000 0.875000 0.625000 Na\n0.625000 0.250000 0.875000 Na\n0.875000 0.750000 0.625000 Na\n0.875000 0.625000 0.250000 Na\n0.625000 0.875000 0.750000 Na\n0.250000 0.375000 0.125000 Na\n0.750000 0.125000 0.375000 Na\n0.375000 0.750000 0.125000 Na\n0.125000 0.250000 0.375000 Na\n0.125000 0.375000 0.750000 Na\n0.375000 0.125000 0.250000 Na\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.510679 0.398744 0.818945 O\n0.818945 0.510679 0.398744 O\n0.808265 0.888065 0.989321 O\n0.420201 0.101256 0.611935 O\n0.888065 0.398744 0.079799 O\n0.681055 0.079799 0.691735 O\n0.818945 0.808265 0.420201 O\n0.398744 0.818945 0.510679 O\n0.611935 0.691735 0.510679 O\n0.420201 0.818945 0.808265 O\n0.398744 0.079799 0.888065 O\n0.101256 0.989321 0.681055 O\n0.989321 0.681055 0.101256 O\n0.808265 0.420201 0.818945 O\n0.510679 0.611935 0.691735 O\n0.691735 0.510679 0.611935 O\n0.079799 0.888065 0.398744 O\n0.989321 0.808265 0.888065 O\n0.079799 0.691735 0.681055 O\n0.388065 0.308265 0.489321 O\n0.611935 0.420201 0.101256 O\n0.101256 0.611935 0.420201 O\n0.691735 0.681055 0.079799 O\n0.681055 0.101256 0.989321 O\n0.489321 0.601256 0.181055 O\n0.181055 0.489321 0.601256 O\n0.191735 0.111935 0.010679 O\n0.579799 0.898744 0.388065 O\n0.111935 0.601256 0.920201 O\n0.318945 0.920201 0.308265 O\n0.181055 0.191735 0.579799 O\n0.601256 0.181055 0.489321 O\n0.318945 0.898744 0.010679 O\n0.308265 0.318945 0.920201 O\n0.898744 0.388065 0.579799 O\n0.111935 0.010679 0.191735 O\n0.388065 0.579799 0.898744 O\n0.920201 0.308265 0.318945 O\n0.010679 0.191735 0.111935 O\n0.920201 0.111935 0.601256 O\n0.308265 0.489321 0.388065 O\n0.489321 0.388065 0.308265 O\n0.191735 0.579799 0.181055 O\n0.010679 0.318945 0.898744 O\n0.898744 0.010679 0.318945 O\n0.601256 0.920201 0.111935 O\n0.579799 0.181055 0.191735 O\n0.888065 0.989321 0.808265 O\n","nsites":80,"nelements":4,"elements":["Na","V","Ge","O"],"chemical_system":"Ge-Na-O-V","density":4.134534193036874,"density_atomic":0.08574463775452956,"volume":933.002950330546,"volume_molar":7.023343870482295,"formula_full":"Na12 V8 Ge12 O48","formula_reduced":"Na3V2(GeO4)3","formula_anonymous":"A2B3C3D12","energy":-558.31894267,"energy_per_atom":-6.9789867833749994,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-511.74294267,"band_gap":0.7941000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999427,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.873000Z","spacegroup":230},{"id":"mp-1012678","created_at":"2022-09-04T14:43:33.853012Z","structure_string":"Na2 Mo6 P6 O26\n1.0\n6.681944 0.000000 0.000000\n0.000000 7.630287 0.000000\n0.000000 1.710108 10.772812\nNa Mo P O\n2 6 6 26\ndirect\n0.750000 0.345522 0.190160 Na\n0.250000 0.654478 0.809840 Na\n0.250000 0.646097 0.206029 Mo\n0.750000 0.353903 0.793971 Mo\n0.250000 0.233510 0.448167 Mo\n0.500000 0.000000 0.000000 Mo\n0.750000 0.766490 0.551833 Mo\n0.000000 0.000000 0.000000 Mo\n0.250000 0.783803 0.487458 P\n0.750000 0.216197 0.512542 P\n0.250000 0.252219 0.768870 P\n0.750000 0.747781 0.231130 P\n0.750000 0.684859 0.880634 P\n0.250000 0.315141 0.119366 P\n0.750000 0.644178 0.742902 O\n0.565433 0.255813 0.428273 O\n0.250000 0.184737 0.644968 O\n0.556677 0.783547 0.902802 O\n0.750000 0.350201 0.609263 O\n0.750000 0.128945 0.901269 O\n0.250000 0.649799 0.390737 O\n0.056677 0.216453 0.097198 O\n0.250000 0.972852 0.411728 O\n0.750000 0.027148 0.588272 O\n0.066420 0.365712 0.790801 O\n0.250000 0.871055 0.098731 O\n0.566420 0.634288 0.209199 O\n0.750000 0.489808 0.949238 O\n0.750000 0.815263 0.355032 O\n0.443323 0.216453 0.097198 O\n0.934567 0.255813 0.428273 O\n0.434567 0.744187 0.571727 O\n0.433580 0.365712 0.790801 O\n0.250000 0.355822 0.257098 O\n0.750000 0.918046 0.124862 O\n0.250000 0.081954 0.875138 O\n0.933580 0.634288 0.209199 O\n0.943323 0.783547 0.902802 O\n0.065433 0.744187 0.571727 O\n0.250000 0.510192 0.050762 O\n","nsites":40,"nelements":4,"elements":["Na","Mo","P","O"],"chemical_system":"Mo-Na-O-P","density":3.698803825390096,"density_atomic":0.07282612552510409,"volume":549.253440459516,"volume_molar":8.269203828403711,"formula_full":"Na2 Mo6 P6 O26","formula_reduced":"NaMo3P3O13","formula_anonymous":"AB3C3D13","energy":-325.59420615,"energy_per_atom":-8.13985515375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-288.52020615,"band_gap":1.5094999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9985641,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.658000Z","spacegroup":11},{"id":"mp-1012670","created_at":"2022-09-04T14:40:07.669820Z","structure_string":"Na12 Ti8 Ge12 O48\n1.0\n-6.211315 6.211315 6.211315\n6.211315 -6.211315 6.211315\n6.211315 6.211315 -6.211315\nNa Ti Ge O\n12 8 12 48\ndirect\n0.750000 0.625000 0.875000 Na\n0.250000 0.875000 0.625000 Na\n0.625000 0.250000 0.875000 Na\n0.875000 0.750000 0.625000 Na\n0.875000 0.625000 0.250000 Na\n0.625000 0.875000 0.750000 Na\n0.250000 0.375000 0.125000 Na\n0.750000 0.125000 0.375000 Na\n0.375000 0.750000 0.125000 Na\n0.125000 0.250000 0.375000 Na\n0.125000 0.375000 0.750000 Na\n0.375000 0.125000 0.250000 Na\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.510197 0.397572 0.816480 O\n0.816480 0.510197 0.397572 O\n0.806282 0.887375 0.989803 O\n0.418907 0.102428 0.612625 O\n0.887375 0.397572 0.081093 O\n0.683520 0.081093 0.693718 O\n0.816480 0.806282 0.418907 O\n0.397572 0.816480 0.510197 O\n0.612625 0.693718 0.510197 O\n0.418907 0.816480 0.806282 O\n0.397572 0.081093 0.887375 O\n0.102428 0.989803 0.683520 O\n0.989803 0.683520 0.102428 O\n0.806282 0.418907 0.816480 O\n0.510197 0.612625 0.693718 O\n0.693718 0.510197 0.612625 O\n0.081093 0.887375 0.397572 O\n0.989803 0.806282 0.887375 O\n0.081093 0.693718 0.683520 O\n0.387375 0.306282 0.489803 O\n0.612625 0.418907 0.102428 O\n0.102428 0.612625 0.418907 O\n0.693718 0.683520 0.081093 O\n0.683520 0.102428 0.989803 O\n0.489803 0.602428 0.183520 O\n0.183520 0.489803 0.602428 O\n0.193718 0.112625 0.010197 O\n0.581093 0.897572 0.387375 O\n0.112625 0.602428 0.918907 O\n0.316480 0.918907 0.306282 O\n0.183520 0.193718 0.581093 O\n0.602428 0.183520 0.489803 O\n0.316480 0.897572 0.010197 O\n0.306282 0.316480 0.918907 O\n0.897572 0.387375 0.581093 O\n0.112625 0.010197 0.193718 O\n0.387375 0.581093 0.897572 O\n0.918907 0.306282 0.316480 O\n0.010197 0.193718 0.112625 O\n0.918907 0.112625 0.602428 O\n0.306282 0.489803 0.387375 O\n0.489803 0.387375 0.306282 O\n0.193718 0.581093 0.183520 O\n0.010197 0.316480 0.897572 O\n0.897572 0.010197 0.316480 O\n0.602428 0.918907 0.112625 O\n0.581093 0.183520 0.193718 O\n0.887375 0.989803 0.806282 O\n","nsites":80,"nelements":4,"elements":["Na","Ti","Ge","O"],"chemical_system":"Ge-Na-O-Ti","density":3.9817705475582748,"density_atomic":0.08346018286832145,"volume":958.5409143689426,"volume_molar":7.2155853881861,"formula_full":"Na12 Ti8 Ge12 O48","formula_reduced":"Na3Ti2(GeO4)3","formula_anonymous":"A2B3C3D12","energy":-569.90540029,"energy_per_atom":-7.123817503625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-536.92940029,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.0085514,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.723000Z","spacegroup":230},{"id":"mp-1012668","created_at":"2022-09-04T14:41:56.365194Z","structure_string":"Li4 Mo8 P8 O36\n1.0\n6.667504 0.000000 0.000000\n0.000000 7.885826 0.000000\n0.000000 0.000000 14.532965\nLi Mo P O\n4 8 8 36\ndirect\n0.750000 0.966404 0.750621 Li\n0.750000 0.533596 0.250621 Li\n0.250000 0.466404 0.749379 Li\n0.250000 0.033596 0.249379 Li\n0.750000 0.357756 0.880751 Mo\n0.250000 0.642244 0.119249 Mo\n0.250000 0.857756 0.619249 Mo\n0.750000 0.142244 0.380751 Mo\n0.500000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.250000 0.353482 0.933403 P\n0.750000 0.646518 0.066597 P\n0.750000 0.853482 0.566597 P\n0.250000 0.146518 0.433403 P\n0.750000 0.385955 0.691590 P\n0.750000 0.114045 0.191590 P\n0.250000 0.885955 0.808410 P\n0.250000 0.614045 0.308410 P\n0.056199 0.602632 0.365978 O\n0.556199 0.397368 0.634022 O\n0.943801 0.102632 0.134022 O\n0.443801 0.897368 0.865978 O\n0.943801 0.397368 0.634022 O\n0.443801 0.602632 0.365978 O\n0.056199 0.897368 0.865978 O\n0.556199 0.102632 0.134022 O\n0.250000 0.327570 0.478729 O\n0.750000 0.672430 0.521271 O\n0.750000 0.827570 0.021271 O\n0.250000 0.172430 0.978729 O\n0.750000 0.141748 0.946853 O\n0.250000 0.858252 0.053147 O\n0.250000 0.641748 0.553147 O\n0.750000 0.358252 0.446853 O\n0.750000 0.219977 0.752481 O\n0.250000 0.780023 0.247519 O\n0.250000 0.719977 0.747519 O\n0.750000 0.280023 0.252481 O\n0.432338 0.126883 0.369897 O\n0.932338 0.873117 0.630103 O\n0.567662 0.626883 0.130103 O\n0.067662 0.373117 0.869897 O\n0.567662 0.873117 0.630103 O\n0.067662 0.126883 0.369897 O\n0.432338 0.373117 0.869897 O\n0.932338 0.626883 0.130103 O\n0.750000 0.518348 0.987477 O\n0.250000 0.023791 0.730593 O\n0.250000 0.476209 0.230593 O\n0.750000 0.523791 0.769407 O\n0.750000 0.981652 0.487477 O\n0.250000 0.018348 0.512523 O\n0.250000 0.481652 0.012523 O\n0.750000 0.976209 0.269407 O\n","nsites":56,"nelements":4,"elements":["Li","Mo","P","O"],"chemical_system":"Li-Mo-O-P","density":3.5184009173637527,"density_atomic":0.07328638913884808,"volume":764.1255171393782,"volume_molar":8.217270397359156,"formula_full":"Li4 Mo8 P8 O36","formula_reduced":"LiMo2P2O9","formula_anonymous":"AB2C2D9","energy":-452.57856807,"energy_per_atom":-8.081760144107143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-402.23056807,"band_gap":1.5289,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0001716,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.490000Z","spacegroup":62},{"id":"mp-1012640","created_at":"2022-09-04T14:43:18.238597Z","structure_string":"Cr2 Fe2 Co2 Ni2\n1.0\n4.012566 0.000000 0.000000\n0.000000 4.370470 0.000000\n0.000000 0.032491 5.040126\nCr Fe Co Ni\n2 2 2 2\ndirect\n0.000000 0.302737 0.626276 Cr\n0.500000 0.629626 0.123875 Cr\n0.500000 0.136183 0.381994 Fe\n0.000000 0.793510 0.376714 Fe\n0.500000 0.637430 0.630847 Co\n0.500000 0.130749 0.879947 Co\n0.000000 0.802215 0.874211 Ni\n0.000000 0.296887 0.124050 Ni\n","nsites":8,"nelements":4,"elements":["Cr","Fe","Co","Ni"],"chemical_system":"Co-Cr-Fe-Ni","density":8.471721924582232,"density_atomic":0.09051035347133522,"volume":88.38767823985587,"volume_molar":6.653537997625014,"formula_full":"Cr2 Fe2 Co2 Ni2","formula_reduced":"CrFeCoNi","formula_anonymous":"ABCD","energy":-61.92758419,"energy_per_atom":-7.74094802375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.92758419,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.2127033,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.619000Z","spacegroup":6},{"id":"mp-10126","created_at":"2022-09-04T14:45:52.815089Z","structure_string":"V10 Si2 B4\n1.0\n-2.889478 2.889478 5.384877\n2.889478 -2.889478 5.384877\n2.889478 2.889478 -5.384877\nV Si B\n10 2 4\ndirect\n0.532870 0.693076 0.500000 V\n0.032870 0.532870 0.839794 V\n0.693076 0.193076 0.160206 V\n0.967130 0.467130 0.160206 V\n0.193076 0.032870 0.500000 V\n0.467130 0.306924 0.500000 V\n0.806924 0.967130 0.500000 V\n0.306924 0.806924 0.839794 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.250000 0.250000 0.000000 Si\n0.750000 0.750000 0.000000 Si\n0.614916 0.114916 0.729832 B\n0.114916 0.385084 0.500000 B\n0.885084 0.614916 0.500000 B\n0.385084 0.885084 0.270168 B\n","nsites":16,"nelements":3,"elements":["V","Si","B"],"chemical_system":"B-Si-V","density":5.62173769763454,"density_atomic":0.08897037463371528,"volume":179.83514249401404,"volume_molar":6.768703385585062,"formula_full":"V10 Si2 B4","formula_reduced":"V5SiB2","formula_anonymous":"AB2C5","energy":-139.34192663000002,"energy_per_atom":-8.708870414375001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.48392663,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000433,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.800000Z","spacegroup":140},{"id":"mp-1012551","created_at":"2022-09-04T14:41:13.785098Z","structure_string":"Ba4 Br4 Cl4\n1.0\n4.892838 0.000000 0.000000\n0.000000 8.322611 0.000000\n0.000000 0.000000 9.637778\nBa Br Cl\n4 4 4\ndirect\n0.250000 0.264466 0.120358 Ba\n0.750000 0.735534 0.879642 Ba\n0.250000 0.764466 0.379642 Ba\n0.750000 0.235534 0.620358 Ba\n0.250000 0.029287 0.831354 Br\n0.750000 0.970713 0.168646 Br\n0.250000 0.529287 0.668646 Br\n0.750000 0.470713 0.331354 Br\n0.250000 0.142565 0.431421 Cl\n0.750000 0.857435 0.568579 Cl\n0.250000 0.642565 0.068579 Cl\n0.750000 0.357435 0.931421 Cl\n","nsites":12,"nelements":3,"elements":["Ba","Br","Cl"],"chemical_system":"Ba-Br-Cl","density":4.2765098905803285,"density_atomic":0.03057622706404863,"volume":392.46176367225956,"volume_molar":19.69549986460168,"formula_full":"Ba4 Br4 Cl4","formula_reduced":"BaBrCl","formula_anonymous":"ABC","energy":-55.08825462,"energy_per_atom":-4.590687885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.49625462,"band_gap":4.4843,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0027338,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.618000Z","spacegroup":62}]}