{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=54","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=52","results":[{"id":"mp-1193267","created_at":"2022-09-04T14:44:07.437258Z","structure_string":"Fe4 Cu2 P4 O20\n1.0\n-6.086238 0.000007 3.276920\n-6.058698 0.000022 -4.007688\n0.000025 -8.140897 0.000038\nFe Cu P O\n4 2 4 20\ndirect\n0.257623 0.516920 0.224136 Fe\n0.742405 0.983140 0.724167 Fe\n0.259007 0.024455 0.279594 Fe\n0.741053 0.475572 0.779547 Fe\n0.001563 0.499761 0.499984 Cu\n0.998439 0.999976 0.999978 Cu\n0.742786 0.256018 0.406971 P\n0.741262 0.756415 0.092746 P\n0.258717 0.743577 0.592718 P\n0.257196 0.243986 0.906996 P\n0.660640 0.135396 0.516447 O\n0.658947 0.635020 0.983769 O\n0.341014 0.865040 0.483794 O\n0.339361 0.364645 0.016424 O\n0.560013 0.422414 0.302331 O\n0.557918 0.924422 0.195430 O\n0.442117 0.575622 0.695406 O\n0.439977 0.077665 0.802293 O\n0.839731 0.357443 0.535031 O\n0.839108 0.855599 0.963109 O\n0.160862 0.644363 0.463110 O\n0.160279 0.142489 0.035018 O\n0.933471 0.114741 0.293940 O\n0.932465 0.615602 0.204490 O\n0.067525 0.884421 0.704484 O\n0.066484 0.385334 0.793983 O\n0.204489 0.801420 0.140269 O\n0.211262 0.300750 0.361779 O\n0.788738 0.199241 0.861839 O\n0.795550 0.698553 0.640217 O\n","nsites":30,"nelements":4,"elements":["Fe","Cu","P","O"],"chemical_system":"Cu-Fe-O-P","density":3.662024909442873,"density_atomic":0.08328730157038933,"volume":360.1989671216066,"volume_molar":7.230562938709757,"formula_full":"Fe4 Cu2 P4 O20","formula_reduced":"Fe2Cu(PO5)2","formula_anonymous":"AB2C2D10","energy":-220.65524294,"energy_per_atom":-7.355174764666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.89124294,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0192882,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.783000Z","spacegroup":14},{"id":"mp-776588","created_at":"2022-09-04T14:44:08.360095Z","structure_string":"Li6 Mn3 V3 P6 O24 F6\n1.0\n5.239003 0.000000 0.000000\n-1.975881 7.235578 0.000000\n-1.084289 -1.177885 14.660725\nLi Mn V P O F\n6 3 3 6 24 6\ndirect\n0.060051 0.330774 0.142698 Li\n0.391607 0.666419 0.477081 Li\n0.728408 0.995188 0.808474 Li\n0.273592 0.001679 0.189780 Li\n0.605264 0.335893 0.525717 Li\n0.937795 0.667435 0.856791 Li\n0.995700 0.996943 0.500413 Mn\n0.665358 0.665806 0.666742 Mn\n0.668622 0.669008 0.166270 Mn\n0.004066 0.002575 0.999503 V\n0.334310 0.332804 0.833859 V\n0.333426 0.333350 0.333312 V\n0.262663 0.941235 0.706780 P\n0.069457 0.388922 0.626836 P\n0.405904 0.724077 0.960212 P\n0.597289 0.278759 0.040956 P\n0.927686 0.611328 0.371893 P\n0.738801 0.056075 0.293489 P\n0.084176 0.779202 0.439438 O\n0.231000 0.860287 0.946282 O\n0.241542 0.992440 0.607883 O\n0.089499 0.338823 0.725340 O\n0.100724 0.473262 0.383919 O\n0.251407 0.553659 0.895122 O\n0.017699 0.144110 0.260875 O\n0.437878 0.804445 0.721442 O\n0.350259 0.476797 0.593503 O\n0.425332 0.673221 0.059204 O\n0.582818 0.888220 0.226204 O\n0.686282 0.814724 0.927471 O\n0.316655 0.189249 0.073441 O\n0.415133 0.111563 0.772174 O\n0.575912 0.327691 0.942102 O\n0.649257 0.522774 0.404573 O\n0.565259 0.193653 0.281509 O\n0.981263 0.853014 0.740316 O\n0.751101 0.448086 0.107229 O\n0.892353 0.525038 0.613372 O\n0.911437 0.663695 0.273156 O\n0.756370 0.004988 0.392590 O\n0.772770 0.142957 0.053374 O\n0.916750 0.220018 0.559825 O\n0.024354 0.151417 0.887427 F\n0.343889 0.476149 0.225189 F\n0.323163 0.190892 0.441537 F\n0.673062 0.816782 0.552448 F\n0.643368 0.507491 0.783512 F\n0.989287 0.857086 0.108735 F\n","nsites":48,"nelements":6,"elements":["Li","Mn","V","P","O","F"],"chemical_system":"F-Li-Mn-O-P-V","density":3.1167291427538104,"density_atomic":0.08637019758814991,"volume":555.7472524132057,"volume_molar":6.972475377115781,"formula_full":"Li6 Mn3 V3 P6 O24 F6","formula_reduced":"Li2MnVP2(O4F)2","formula_anonymous":"ABC2D2E2F8","energy":-360.08708183,"energy_per_atom":-7.501814204791667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-330.72308183,"band_gap":0.0766,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9997152,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.482000Z","spacegroup":1},{"id":"mp-1204893","created_at":"2022-09-04T14:44:07.443254Z","structure_string":"Cu2 H12 C8 N16\n1.0\n-7.057028 0.000000 3.080089\n0.107099 0.000000 -7.461892\n0.000000 -9.631612 0.000000\nCu H C N\n2 12 8 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.364948 0.143459 0.977793 H\n0.635052 0.356541 0.477793 H\n0.635052 0.856541 0.022207 H\n0.364948 0.643459 0.522207 H\n0.277491 0.913989 0.919855 H\n0.722509 0.586011 0.419855 H\n0.722509 0.086011 0.080145 H\n0.277491 0.413989 0.580145 H\n0.281734 0.092876 0.815896 H\n0.718266 0.407124 0.315896 H\n0.718266 0.907124 0.184104 H\n0.281734 0.592876 0.684104 H\n0.876948 0.081851 0.709622 C\n0.123052 0.418149 0.209622 C\n0.123052 0.918149 0.290378 C\n0.876948 0.581851 0.790378 C\n0.743126 0.973764 0.494919 C\n0.256874 0.526236 0.994919 C\n0.256874 0.026236 0.505081 C\n0.743126 0.473764 0.005081 C\n0.260097 0.043468 0.916794 N\n0.739903 0.456532 0.416795 N\n0.739903 0.956532 0.083206 N\n0.260097 0.543468 0.583206 N\n0.920003 0.077884 0.826718 N\n0.079997 0.422116 0.326718 N\n0.079997 0.922116 0.173282 N\n0.920003 0.577884 0.673282 N\n0.839186 0.110614 0.583495 N\n0.160814 0.389386 0.083495 N\n0.160814 0.889386 0.416505 N\n0.839186 0.610614 0.916505 N\n0.658795 0.861577 0.406586 N\n0.341205 0.638423 0.906586 N\n0.341205 0.138423 0.593414 N\n0.658795 0.361577 0.093414 N\n","nsites":38,"nelements":4,"elements":["Cu","H","C","N"],"chemical_system":"C-Cu-H-N","density":1.5134937061917555,"density_atomic":0.07539507184682516,"volume":504.0117221083351,"volume_molar":7.987446145332626,"formula_full":"Cu2 H12 C8 N16","formula_reduced":"CuH6(CN2)4","formula_anonymous":"AB4C6D8","energy":-259.39938132,"energy_per_atom":-6.826299508421052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.62338132,"band_gap":1.1396,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0024347,"is_theoretical":false,"updated_at":"2021-11-28T01:36:25.571000Z","spacegroup":14},{"id":"mp-1181196","created_at":"2022-09-04T14:44:08.354530Z","structure_string":"Mn4 Zn8 Si4 H8 O24\n1.0\n5.370731 0.000000 0.000000\n0.000000 8.321029 0.000000\n0.000000 1.147973 11.827222\nMn Zn Si H O\n4 8 4 8 24\ndirect\n0.254678 0.606640 0.456193 Mn\n0.754678 0.893360 0.543807 Mn\n0.745322 0.393360 0.543807 Mn\n0.245322 0.106640 0.456193 Mn\n0.433687 0.773222 0.920650 Zn\n0.933687 0.726778 0.079350 Zn\n0.566313 0.226778 0.079350 Zn\n0.066313 0.273222 0.920650 Zn\n0.435710 0.111414 0.750899 Zn\n0.935710 0.388586 0.249101 Zn\n0.564290 0.888586 0.249101 Zn\n0.064290 0.611414 0.750899 Zn\n0.431543 0.567762 0.171199 Si\n0.931543 0.932238 0.828801 Si\n0.568457 0.432238 0.828801 Si\n0.068457 0.067762 0.171199 Si\n0.278709 0.910699 0.640930 H\n0.778709 0.589301 0.359070 H\n0.721291 0.089301 0.359070 H\n0.221291 0.410699 0.640930 H\n0.458845 0.359702 0.366643 H\n0.958845 0.140298 0.633357 H\n0.541155 0.640298 0.633357 H\n0.041155 0.859702 0.366643 H\n0.425500 0.608738 0.807269 O\n0.925500 0.891262 0.192731 O\n0.574500 0.391262 0.192731 O\n0.074500 0.108738 0.807269 O\n0.462078 0.663333 0.286170 O\n0.962078 0.836667 0.713830 O\n0.537922 0.336667 0.713830 O\n0.037922 0.163333 0.286170 O\n0.430121 0.319027 0.933316 O\n0.930121 0.180973 0.066684 O\n0.569879 0.680973 0.066684 O\n0.069879 0.819027 0.933316 O\n0.362935 0.038227 0.138514 O\n0.862935 0.461773 0.861486 O\n0.637065 0.961773 0.861486 O\n0.137065 0.538227 0.138514 O\n0.410378 0.988802 0.617818 O\n0.910378 0.511198 0.382182 O\n0.589622 0.011198 0.382182 O\n0.089622 0.488802 0.617818 O\n0.403946 0.350629 0.445419 O\n0.903946 0.149371 0.554581 O\n0.596054 0.649371 0.554581 O\n0.096054 0.850629 0.445419 O\n","nsites":48,"nelements":5,"elements":["Mn","Zn","Si","H","O"],"chemical_system":"H-Mn-O-Si-Zn","density":3.918925242734817,"density_atomic":0.09081300618129792,"volume":528.5586505546729,"volume_molar":6.631363736574777,"formula_full":"Mn4 Zn8 Si4 H8 O24","formula_reduced":"MnZn2Si(HO3)2","formula_anonymous":"ABC2D2E6","energy":-314.26020713,"energy_per_atom":-6.547087648541667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.10020713,"band_gap":1.1460000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.384000Z","spacegroup":14},{"id":"mp-1176315","created_at":"2022-09-04T14:44:08.355861Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n11.564896 0.000000 0.000000\n0.000000 5.155513 0.000000\n0.000000 1.859749 4.811819\nLi Mn Co O\n9 2 5 16\ndirect\n0.872279 0.000000 0.500000 Li\n0.749109 0.500000 0.500000 Li\n0.617781 0.000000 0.500000 Li\n0.503963 0.500000 0.500000 Li\n0.378273 0.000000 0.500000 Li\n0.254634 0.500000 0.500000 Li\n0.129758 0.000000 0.500000 Li\n0.993723 0.500000 0.500000 Li\n0.498791 0.000000 0.000000 Li\n0.997181 0.000000 0.000000 Mn\n0.127217 0.500000 0.000000 Mn\n0.874735 0.500000 0.000000 Co\n0.743397 0.000000 0.000000 Co\n0.624713 0.500000 0.000000 Co\n0.379535 0.500000 0.000000 Co\n0.253879 0.000000 0.000000 Co\n0.877451 0.772020 0.232718 O\n0.750450 0.270079 0.217535 O\n0.629707 0.733815 0.214590 O\n0.508243 0.279168 0.234904 O\n0.366618 0.751531 0.214482 O\n0.241453 0.266518 0.241418 O\n0.125783 0.752262 0.207942 O\n0.000811 0.281559 0.232784 O\n0.877451 0.227980 0.767282 O\n0.750450 0.729921 0.782465 O\n0.629707 0.266185 0.785410 O\n0.508243 0.720832 0.765096 O\n0.366618 0.248469 0.785518 O\n0.241453 0.733482 0.758582 O\n0.125783 0.247738 0.792058 O\n0.000811 0.718441 0.767216 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.184710070777519,"density_atomic":0.11153908505995375,"volume":286.8949479260976,"volume_molar":5.399130499199468,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.35589765,"energy_per_atom":-6.5111218015625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.83789765,"band_gap":0.7057000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0016476,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.089000Z","spacegroup":3},{"id":"mp-1225633","created_at":"2022-09-04T14:44:08.358278Z","structure_string":"Er1 Mn2 Fe4 Sn6\n1.0\n-2.702073 -4.703882 0.000026\n-5.429812 0.014813 0.000019\n0.000031 0.000031 -9.007682\nEr Mn Fe Sn\n1 2 4 6\ndirect\n0.999978 0.999995 0.000584 Er\n0.499988 0.000003 0.246337 Mn\n0.999986 0.500003 0.246441 Mn\n0.499986 0.500002 0.246283 Fe\n0.499995 0.999999 0.753256 Fe\n0.999984 0.500006 0.753205 Fe\n0.499986 0.499999 0.752563 Fe\n0.999986 0.000004 0.336714 Sn\n0.999991 0.999991 0.662873 Sn\n0.666356 0.666198 0.501283 Sn\n0.333608 0.333805 0.501283 Sn\n0.666263 0.665864 0.999590 Sn\n0.333692 0.334132 0.999587 Sn\n","nsites":13,"nelements":4,"elements":["Er","Mn","Fe","Sn"],"chemical_system":"Er-Fe-Mn-Sn","density":8.739670404893573,"density_atomic":0.056416876941463814,"volume":230.42750156993532,"volume_molar":10.674360380225165,"formula_full":"Er1 Mn2 Fe4 Sn6","formula_reduced":"ErMn2(Fe2Sn3)2","formula_anonymous":"AB2C4D6","energy":-82.36960361,"energy_per_atom":-6.336123354615385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.36960361,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.1911879,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.750000Z","spacegroup":35},{"id":"mp-1202871","created_at":"2022-09-04T14:44:08.384193Z","structure_string":"U6 N2 F26\n1.0\n7.314700 0.000000 0.000000\n0.000000 7.996380 0.000000\n0.000000 0.000000 8.437148\nU N F\n6 2 26\ndirect\n0.885948 0.000000 0.502554 U\n0.114052 0.000000 0.002554 U\n0.389949 0.256868 0.659314 U\n0.389949 0.743132 0.659314 U\n0.610051 0.743132 0.159314 U\n0.610051 0.256868 0.159314 U\n0.893929 0.500000 0.796887 N\n0.106071 0.500000 0.296887 N\n0.557367 0.500000 0.658187 F\n0.442633 0.500000 0.158187 F\n0.544952 0.300711 0.910241 F\n0.544952 0.699289 0.910241 F\n0.455048 0.699289 0.410241 F\n0.455048 0.300711 0.410241 F\n0.812770 0.251521 0.357618 F\n0.812770 0.748479 0.357618 F\n0.187230 0.748479 0.857618 F\n0.187230 0.251521 0.857618 F\n0.889137 0.186982 0.045885 F\n0.889137 0.813018 0.045885 F\n0.110863 0.813018 0.545885 F\n0.110863 0.186982 0.545885 F\n0.685921 0.166610 0.638791 F\n0.685921 0.833390 0.638791 F\n0.314079 0.833390 0.138791 F\n0.314079 0.166610 0.138791 F\n0.770726 0.500000 0.138494 F\n0.229274 0.500000 0.638494 F\n0.965310 0.000000 0.772724 F\n0.034690 0.000000 0.272724 F\n0.631130 0.000000 0.325122 F\n0.368870 0.000000 0.825122 F\n0.605898 0.000000 0.042936 F\n0.394102 0.000000 0.542936 F\n","nsites":34,"nelements":3,"elements":["U","N","F"],"chemical_system":"F-N-U","density":6.561912986433585,"density_atomic":0.06889588868651152,"volume":493.4982427573584,"volume_molar":8.740929066757243,"formula_full":"U6 N2 F26","formula_reduced":"U3NF13","formula_anonymous":"AB3C13","energy":-248.19027814,"energy_per_atom":-7.2997140629411765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.17827814,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9797381,"is_theoretical":false,"updated_at":"2021-11-28T01:36:37.633000Z","spacegroup":26},{"id":"mp-818474","created_at":"2022-09-04T14:44:07.456529Z","structure_string":"Na4 Fe8 Si24 O60\n1.0\n7.283265 -8.723104 0.000000\n7.283265 8.723104 0.000000\n0.000000 0.000000 10.207292\nNa Fe Si O\n4 8 24 60\ndirect\n0.970163 0.529837 0.250000 Na\n0.529837 0.970163 0.750000 Na\n0.029837 0.470163 0.750000 Na\n0.470163 0.029837 0.250000 Na\n0.751464 0.751464 0.000000 Fe\n0.251464 0.251464 0.500000 Fe\n0.248536 0.248536 0.000000 Fe\n0.748536 0.748536 0.500000 Fe\n0.656199 0.843801 0.250000 Fe\n0.843801 0.656199 0.750000 Fe\n0.343801 0.156199 0.750000 Fe\n0.156199 0.343801 0.250000 Fe\n0.740606 0.476227 0.011405 Si\n0.476227 0.740606 0.988595 Si\n0.976227 0.240606 0.511405 Si\n0.240606 0.976227 0.488595 Si\n0.259394 0.523773 0.988595 Si\n0.523773 0.259394 0.011405 Si\n0.023773 0.759394 0.488595 Si\n0.759394 0.023773 0.511405 Si\n0.679918 0.539029 0.304348 Si\n0.539029 0.679918 0.695652 Si\n0.039029 0.179918 0.804348 Si\n0.179918 0.039029 0.195652 Si\n0.320082 0.460971 0.695652 Si\n0.460971 0.320082 0.304348 Si\n0.960971 0.820082 0.195652 Si\n0.820082 0.960971 0.804348 Si\n0.797896 0.420302 0.542482 Si\n0.420302 0.797896 0.457518 Si\n0.920302 0.297896 0.042482 Si\n0.297896 0.920302 0.957518 Si\n0.202104 0.579698 0.457518 Si\n0.579698 0.202104 0.542482 Si\n0.079698 0.702104 0.957518 Si\n0.702104 0.079698 0.042482 Si\n0.852986 0.406731 0.992016 O\n0.406731 0.852986 0.007984 O\n0.906731 0.352986 0.492016 O\n0.352986 0.906731 0.507984 O\n0.147014 0.593269 0.007984 O\n0.593269 0.147014 0.992016 O\n0.093269 0.647014 0.507984 O\n0.647014 0.093269 0.492016 O\n0.751392 0.590713 0.915136 O\n0.590713 0.751392 0.084864 O\n0.090713 0.251392 0.415136 O\n0.251392 0.090713 0.584864 O\n0.248608 0.409287 0.084864 O\n0.409287 0.248608 0.915136 O\n0.909287 0.748608 0.584864 O\n0.748608 0.909287 0.415136 O\n0.748164 0.526941 0.163984 O\n0.526941 0.748164 0.836016 O\n0.026941 0.248164 0.663984 O\n0.248164 0.026941 0.336016 O\n0.251836 0.473059 0.836016 O\n0.473059 0.251836 0.163984 O\n0.973059 0.751836 0.336016 O\n0.751836 0.973059 0.663984 O\n0.666596 0.675432 0.336434 O\n0.675432 0.666596 0.663566 O\n0.175432 0.166596 0.836434 O\n0.166596 0.175432 0.163566 O\n0.333404 0.324568 0.663566 O\n0.324568 0.333404 0.336434 O\n0.824568 0.833404 0.163566 O\n0.833404 0.824568 0.836434 O\n0.772664 0.498884 0.412925 O\n0.498884 0.772664 0.587075 O\n0.998884 0.272664 0.912925 O\n0.272664 0.998884 0.087075 O\n0.227336 0.501116 0.587075 O\n0.501116 0.227336 0.412925 O\n0.001116 0.727336 0.087075 O\n0.727336 0.001116 0.912925 O\n0.844074 0.500991 0.667407 O\n0.500991 0.844074 0.332593 O\n0.000991 0.344074 0.167407 O\n0.344074 0.000991 0.832593 O\n0.155926 0.499009 0.332593 O\n0.499009 0.155926 0.667407 O\n0.999009 0.655926 0.832593 O\n0.655926 0.999009 0.167407 O\n0.614349 0.385651 0.990004 O\n0.385651 0.614349 0.009996 O\n0.885651 0.114349 0.490004 O\n0.114349 0.885651 0.509996 O\n0.552385 0.447615 0.307585 O\n0.447615 0.552385 0.692415 O\n0.947615 0.052385 0.807585 O\n0.052385 0.947615 0.192415 O\n0.679454 0.320546 0.575171 O\n0.320546 0.679454 0.424829 O\n0.820546 0.179454 0.075171 O\n0.179454 0.820546 0.924829 O\n","nsites":96,"nelements":4,"elements":["Na","Fe","Si","O"],"chemical_system":"Fe-Na-O-Si","density":2.781750510880708,"density_atomic":0.07401735068948724,"volume":1296.9931928897718,"volume_molar":8.136120387858373,"formula_full":"Na4 Fe8 Si24 O60","formula_reduced":"NaFe2(Si2O5)3","formula_anonymous":"AB2C6D15","energy":-759.39893135,"energy_per_atom":-7.910405534895833,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-700.13093135,"band_gap":3.1918999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0999377,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.808000Z","spacegroup":64},{"id":"mp-774864","created_at":"2022-09-04T14:44:06.319894Z","structure_string":"Li4 Cr3 Ni3 Sn2 O16\n1.0\n2.956458 5.109876 0.000000\n-2.956458 5.109876 0.000000\n0.000000 0.135085 9.639172\nLi Cr Ni Sn O\n4 3 3 2 16\ndirect\n0.333822 0.333822 0.890783 Li\n0.000901 0.000901 0.993985 Li\n0.002180 0.002180 0.495367 Li\n0.665502 0.665502 0.394833 Li\n0.165673 0.657702 0.216890 Cr\n0.657702 0.165673 0.216890 Cr\n0.829065 0.829065 0.718534 Cr\n0.168865 0.168865 0.212518 Ni\n0.339334 0.831232 0.713699 Ni\n0.831232 0.339334 0.713699 Ni\n0.333161 0.333161 0.495598 Sn\n0.662678 0.662678 0.992166 Sn\n0.152531 0.681123 0.599598 O\n0.483321 0.483321 0.337852 O\n0.349046 0.349046 0.106913 O\n0.989738 0.989738 0.306897 O\n0.993327 0.993327 0.805471 O\n0.681123 0.152531 0.599598 O\n0.033838 0.493879 0.336872 O\n0.493879 0.033838 0.336872 O\n0.837407 0.837407 0.100647 O\n0.158248 0.158248 0.601210 O\n0.524876 0.968139 0.839404 O\n0.968139 0.524876 0.839404 O\n0.676736 0.676736 0.608415 O\n0.316006 0.832555 0.100075 O\n0.517475 0.517475 0.833574 O\n0.832555 0.316006 0.100075 O\n","nsites":28,"nelements":5,"elements":["Li","Cr","Ni","Sn","O"],"chemical_system":"Cr-Li-Ni-O-Sn","density":4.86485589213712,"density_atomic":0.09614046775558349,"volume":291.2405218495919,"volume_molar":6.263897919978922,"formula_full":"Li4 Cr3 Ni3 Sn2 O16","formula_reduced":"Li4Cr3Ni3(SnO8)2","formula_anonymous":"A2B3C3D4E16","energy":-193.76731705,"energy_per_atom":-6.9202613232142856,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.15531705,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9995553,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.076000Z","spacegroup":8},{"id":"mp-4093","created_at":"2022-09-04T14:44:08.639100Z","structure_string":"Cu3 P2 O8\n1.0\n-4.909249 0.000000 0.000000\n2.137506 5.187777 0.000000\n-0.307091 -1.797176 -5.978595\nCu P O\n3 2 8\ndirect\n0.267195 0.789870 0.321046 Cu\n0.732805 0.210130 0.678954 Cu\n0.000000 0.000000 0.000000 Cu\n0.357047 0.667707 0.784161 P\n0.642953 0.332293 0.215839 P\n0.377327 0.863889 0.640170 O\n0.622673 0.136111 0.359830 O\n0.220042 0.779474 0.006513 O\n0.779958 0.220526 0.993487 O\n0.336552 0.325020 0.160941 O\n0.154484 0.380761 0.659757 O\n0.845516 0.619239 0.340243 O\n0.663448 0.674980 0.839059 O\n","nsites":13,"nelements":3,"elements":["Cu","P","O"],"chemical_system":"Cu-O-P","density":4.150499741378677,"density_atomic":0.0853783697627124,"volume":152.26338985073403,"volume_molar":7.053473586737505,"formula_full":"Cu3 P2 O8","formula_reduced":"Cu3(PO4)2","formula_anonymous":"A2B3C8","energy":-86.98115682999999,"energy_per_atom":-6.690858217692307,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.48515683,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9998186,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.324000Z","spacegroup":2},{"id":"mp-24347","created_at":"2022-09-04T14:44:08.378023Z","structure_string":"Be4 Co2 H40 N4 O12 F16\n1.0\n12.637625 0.000000 0.000000\n0.000000 6.200465 0.000000\n0.000000 2.695652 8.958104\nBe Co H N O F\n4 2 40 4 12 16\ndirect\n0.354638 0.253867 0.901597 Be\n0.645362 0.746133 0.098403 Be\n0.145362 0.253867 0.401597 Be\n0.854638 0.746133 0.598403 Be\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.357921 0.337527 0.464210 H\n0.857921 0.662473 0.035790 H\n0.642079 0.662473 0.535790 H\n0.142079 0.337527 0.964210 H\n0.435673 0.335072 0.600081 H\n0.935673 0.664928 0.899919 H\n0.564327 0.664928 0.399919 H\n0.064327 0.335072 0.100081 H\n0.683882 0.013769 0.642321 H\n0.183882 0.986231 0.857679 H\n0.316118 0.986231 0.357679 H\n0.816118 0.013769 0.142321 H\n0.598319 0.934421 0.770294 H\n0.098319 0.065579 0.729706 H\n0.401681 0.065579 0.229706 H\n0.901681 0.934421 0.270294 H\n0.629874 0.106235 0.253426 H\n0.129874 0.893765 0.246574 H\n0.370126 0.893765 0.746574 H\n0.870126 0.106235 0.753426 H\n0.591597 0.334141 0.284528 H\n0.091597 0.665859 0.215472 H\n0.408403 0.665859 0.715472 H\n0.908403 0.334141 0.784528 H\n0.932683 0.351981 0.330159 H\n0.432683 0.648019 0.169841 H\n0.067317 0.648019 0.669841 H\n0.567317 0.351981 0.830159 H\n0.862281 0.505723 0.416254 H\n0.362281 0.494277 0.083746 H\n0.137719 0.494277 0.583746 H\n0.637719 0.505723 0.916254 H\n0.804025 0.410980 0.284058 H\n0.304025 0.589020 0.215942 H\n0.195975 0.589020 0.715942 H\n0.695975 0.410980 0.784058 H\n0.836704 0.225093 0.453159 H\n0.336704 0.774907 0.046841 H\n0.663296 0.225093 0.953159 H\n0.163296 0.774907 0.546841 H\n0.142141 0.628996 0.628539 N\n0.357859 0.628996 0.128539 N\n0.642141 0.371004 0.871461 N\n0.857859 0.371004 0.371461 N\n0.608830 0.031674 0.666294 O\n0.108830 0.968326 0.833706 O\n0.391170 0.968326 0.333706 O\n0.891170 0.031674 0.166294 O\n0.611459 0.175675 0.332776 O\n0.111459 0.824325 0.167224 O\n0.388541 0.824325 0.667224 O\n0.888541 0.175675 0.832776 O\n0.430484 0.297962 0.504402 O\n0.069516 0.297962 0.004402 O\n0.930484 0.702038 0.995598 O\n0.569516 0.702038 0.495598 O\n0.065095 0.374107 0.273630 F\n0.565095 0.625893 0.226370 F\n0.434905 0.374107 0.773630 F\n0.934905 0.625893 0.726370 F\n0.591972 0.770247 0.944739 F\n0.091972 0.229753 0.555261 F\n0.408028 0.229753 0.055261 F\n0.908028 0.770247 0.444739 F\n0.743400 0.586029 0.114035 F\n0.243400 0.413971 0.385965 F\n0.256600 0.413971 0.885965 F\n0.756600 0.586029 0.614035 F\n0.320231 0.017785 0.884489 F\n0.679769 0.982215 0.115511 F\n0.179769 0.017785 0.384489 F\n0.820231 0.982215 0.615511 F\n","nsites":78,"nelements":6,"elements":["Be","Co","H","N","O","F"],"chemical_system":"Be-Co-F-H-N-O","density":1.765282016877281,"density_atomic":0.11111911604840684,"volume":701.9494284495644,"volume_molar":5.4195362365702895,"formula_full":"Be4 Co2 H40 N4 O12 F16","formula_reduced":"Be2CoH20N2(O3F4)2","formula_anonymous":"AB2C2D6E8F20","energy":-415.82376845,"energy_per_atom":-5.331073954487179,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-395.46776845,"band_gap":3.3035,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0000612,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.497000Z","spacegroup":14},{"id":"mp-1173979","created_at":"2022-09-04T14:44:10.980667Z","structure_string":"Li5 Mn2 Co1 O8\n1.0\n4.786295 0.111089 1.814643\n-1.110806 4.962263 2.625929\n-0.237055 0.150762 5.851246\nLi Mn Co O\n5 2 1 8\ndirect\n0.497425 0.252989 0.994023 Li\n0.499998 0.257019 0.500001 Li\n0.500002 0.742981 0.499999 Li\n0.502575 0.747011 0.005977 Li\n0.000000 0.500000 0.500000 Li\n0.000001 0.000001 0.000002 Mn\n0.000002 0.499999 0.999997 Mn\n0.000000 0.000000 0.500000 Co\n0.230485 0.363763 0.772469 O\n0.212144 0.361822 0.246523 O\n0.212142 0.891655 0.246521 O\n0.239341 0.857477 0.785048 O\n0.760659 0.142523 0.214952 O\n0.787857 0.108345 0.753479 O\n0.787856 0.638178 0.753477 O\n0.769515 0.636237 0.227531 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.944404499741271,"density_atomic":0.11464533086299165,"volume":139.5608515371725,"volume_molar":5.25284432838947,"formula_full":"Li5 Mn2 Co1 O8","formula_reduced":"Li5Mn2CoO8","formula_anonymous":"AB2C5D8","energy":-106.9791702,"energy_per_atom":-6.6861981375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.5091702,"band_gap":1.2190999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0012016,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.040000Z","spacegroup":12}]}