{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=10222","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=10220","results":[{"id":"mp-1095633","created_at":"2022-09-04T14:40:52.566740Z","structure_string":"C12\n1.0\n-3.381973 3.381973 3.283491\n3.381973 -3.381973 3.283491\n3.381973 3.381973 -3.283491\nC\n12\ndirect\n0.878711 0.121289 0.000000 C\n0.121289 0.878711 0.000000 C\n0.121289 0.121289 0.242577 C\n0.878711 0.878711 0.757423 C\n0.969861 0.388287 0.000000 C\n0.388287 0.969861 0.000000 C\n0.388287 0.388287 0.418427 C\n0.969861 0.969861 0.581573 C\n0.030139 0.611713 0.000000 C\n0.611713 0.030139 0.000000 C\n0.611713 0.611713 0.581573 C\n0.030139 0.030139 0.418427 C\n","nsites":12,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.5931716482922207,"density_atomic":0.07988130520429744,"volume":150.22288343073325,"volume_molar":7.538861244941228,"formula_full":"C12","formula_reduced":"C","formula_anonymous":"A","energy":-98.75893588,"energy_per_atom":-8.229911323333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.75893588,"band_gap":2.5933,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.2e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.767000Z","spacegroup":139},{"id":"mp-1245857","created_at":"2022-09-04T14:40:52.576903Z","structure_string":"Ca7 Mg2 N6\n1.0\n7.008831 0.606255 0.110998\n10.873674 6.484540 0.000000\n0.143767 -0.241076 6.417137\nCa Mg N\n7 2 6\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.377549 0.500000 Ca\n0.000000 0.622451 0.500000 Ca\n0.699609 0.977675 0.825130 Ca\n0.699609 0.322716 0.825130 Ca\n0.300391 0.022325 0.174870 Ca\n0.300391 0.677284 0.174870 Ca\n0.241906 0.879047 0.673062 Mg\n0.758094 0.120953 0.326938 Mg\n0.479744 0.905076 0.803710 N\n0.479744 0.615179 0.803710 N\n0.520256 0.094924 0.196290 N\n0.520256 0.384821 0.196290 N\n0.489085 0.755457 0.340787 N\n0.510915 0.244543 0.659213 N\n","nsites":15,"nelements":3,"elements":["Ca","Mg","N"],"chemical_system":"Ca-Mg-N","density":2.756032548191542,"density_atomic":0.060251822076606426,"volume":248.95512671680598,"volume_molar":9.994952106748281,"formula_full":"Ca7 Mg2 N6","formula_reduced":"Ca7Mg2N6","formula_anonymous":"A2B6C7","energy":-80.10328227,"energy_per_atom":-5.340218817999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.93728227,"band_gap":1.1673000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005658,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.734000Z","spacegroup":12},{"id":"mp-19786","created_at":"2022-09-04T14:40:52.589681Z","structure_string":"U2 Co2 As4\n1.0\n3.991487 0.000000 0.000000\n0.000000 3.991487 0.000000\n0.000000 0.000000 8.918455\nU Co As\n2 2 4\ndirect\n0.000000 0.500000 0.747218 U\n0.500000 0.000000 0.252782 U\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.343610 As\n0.500000 0.000000 0.656390 As\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n","nsites":8,"nelements":3,"elements":["U","Co","As"],"chemical_system":"As-Co-U","density":10.443314343307012,"density_atomic":0.05630292057347495,"volume":142.0885438715395,"volume_molar":10.695965144723077,"formula_full":"U2 Co2 As4","formula_reduced":"UCoAs2","formula_anonymous":"ABC2","energy":-59.85447313,"energy_per_atom":-7.48180914125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.85447313,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3372803,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.143000Z","spacegroup":129},{"id":"mp-756804","created_at":"2022-09-04T14:40:52.597584Z","structure_string":"Te2 P2 H2 O10\n1.0\n5.485546 -0.054631 0.047057\n-2.192929 7.685567 -0.051425\n-0.663180 -2.163899 4.926550\nTe P H O\n2 2 2 10\ndirect\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n0.356075 0.226487 0.663398 P\n0.643925 0.773513 0.336602 P\n0.038439 0.337886 0.368221 H\n0.961561 0.662114 0.631779 H\n0.048661 0.717662 0.830843 O\n0.191292 0.362050 0.685799 O\n0.355210 0.660111 0.311266 O\n0.249189 0.057915 0.377623 O\n0.339160 0.150125 0.888270 O\n0.660840 0.849875 0.111730 O\n0.750811 0.942085 0.622377 O\n0.644790 0.339889 0.688734 O\n0.808708 0.637950 0.314201 O\n0.951339 0.282338 0.169157 O\n","nsites":16,"nelements":4,"elements":["Te","P","H","O"],"chemical_system":"H-O-P-Te","density":3.844477701015263,"density_atomic":0.07730899509488434,"volume":206.96168641647168,"volume_molar":7.789702547043578,"formula_full":"Te2 P2 H2 O10","formula_reduced":"TePHO5","formula_anonymous":"ABCD5","energy":-103.73359643,"energy_per_atom":-6.483349776875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.86359643,"band_gap":1.9317,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017069,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.840000Z","spacegroup":2},{"id":"mp-19220","created_at":"2022-09-04T14:40:52.277081Z","structure_string":"Ca4 Si8 Ni4 O24\n1.0\n5.184300 0.007825 1.077175\n-3.912760 6.523802 6.207962\n-1.250362 -6.521491 6.065203\nCa Si Ni O\n4 8 4 24\ndirect\n0.250000 0.500000 0.202986 Ca\n0.750000 0.000000 0.702986 Ca\n0.750002 0.500001 0.797014 Ca\n0.250001 0.000000 0.297014 Ca\n0.559596 0.286996 0.092975 Si\n0.059595 0.786995 0.592976 Si\n0.940404 0.713005 0.092976 Si\n0.440403 0.213005 0.592975 Si\n0.059595 0.286995 0.907025 Si\n0.559595 0.786995 0.407025 Si\n0.440405 0.713005 0.907025 Si\n0.940405 0.213004 0.407024 Si\n0.249999 0.000000 0.908561 Ni\n0.749999 0.000001 0.091438 Ni\n0.750000 0.500000 0.408561 Ni\n0.249999 0.500001 0.591438 Ni\n0.857948 0.350900 0.018617 O\n0.357947 0.850899 0.518617 O\n0.642053 0.649100 0.018619 O\n0.142052 0.149100 0.518619 O\n0.142054 0.649101 0.981382 O\n0.642054 0.149101 0.481382 O\n0.357946 0.350899 0.981382 O\n0.857946 0.850899 0.481382 O\n0.540878 0.361434 0.249958 O\n0.040878 0.861434 0.749958 O\n0.959121 0.638565 0.249958 O\n0.459121 0.138565 0.749958 O\n0.459122 0.638566 0.750042 O\n0.959122 0.138566 0.250042 O\n0.040878 0.361434 0.750043 O\n0.540878 0.861434 0.250042 O\n0.973563 0.115779 0.912797 O\n0.473563 0.615779 0.412797 O\n0.526436 0.884220 0.912797 O\n0.026436 0.384220 0.412797 O\n0.473563 0.115779 0.087203 O\n0.973562 0.615779 0.587203 O\n0.026438 0.884221 0.087203 O\n0.526438 0.384221 0.587203 O\n","nsites":40,"nelements":4,"elements":["Ca","Si","Ni","O"],"chemical_system":"Ca-Ni-O-Si","density":3.692304879138714,"density_atomic":0.08860957220920904,"volume":451.41849805525715,"volume_molar":6.796264342391361,"formula_full":"Ca4 Si8 Ni4 O24","formula_reduced":"CaSi2NiO6","formula_anonymous":"ABC2D6","energy":-311.25532065,"energy_per_atom":-7.7813830162499995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-284.60332065,"band_gap":4.2294,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:21.531000Z","spacegroup":15},{"id":"mp-1219306","created_at":"2022-09-04T14:40:52.277916Z","structure_string":"Si5 C3\n1.0\n3.696236 -4.200134 0.000000\n3.696236 4.200134 0.000000\n-1.076492 0.000000 5.490397\nSi C\n5 3\ndirect\n0.385350 0.385350 0.385350 Si\n0.563036 0.844271 0.357218 Si\n0.844271 0.357218 0.563036 Si\n0.357218 0.563036 0.844271 Si\n0.721632 0.721632 0.721632 Si\n0.164741 0.359407 0.604345 C\n0.359407 0.604345 0.164741 C\n0.604345 0.164741 0.359407 C\n","nsites":8,"nelements":2,"elements":["Si","C"],"chemical_system":"C-Si","density":1.718849312696058,"density_atomic":0.046928146770646884,"volume":170.47338432302902,"volume_molar":12.832683952835726,"formula_full":"Si5 C3","formula_reduced":"Si5C3","formula_anonymous":"A3B5","energy":-49.04956614,"energy_per_atom":-6.1311957675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.04956614,"band_gap":0.7307000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003164,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.710000Z","spacegroup":146},{"id":"mp-1193958","created_at":"2022-09-04T14:40:52.285619Z","structure_string":"Nb8 Fe4 S16\n1.0\n3.315999 0.000000 0.000000\n0.000000 11.013315 0.000000\n0.000000 0.000000 13.063399\nNb Fe S\n8 4 16\ndirect\n0.250000 0.044258 0.584444 Nb\n0.250000 0.544258 0.915556 Nb\n0.750000 0.955742 0.415556 Nb\n0.750000 0.455742 0.084444 Nb\n0.250000 0.114263 0.099642 Nb\n0.250000 0.614263 0.400358 Nb\n0.750000 0.885737 0.900358 Nb\n0.750000 0.385737 0.599642 Nb\n0.250000 0.225511 0.334543 Fe\n0.250000 0.725511 0.165457 Fe\n0.750000 0.774489 0.665457 Fe\n0.750000 0.274489 0.834543 Fe\n0.250000 0.322126 0.986873 S\n0.250000 0.822126 0.513127 S\n0.750000 0.677874 0.013127 S\n0.750000 0.177874 0.486873 S\n0.250000 0.242973 0.695536 S\n0.250000 0.742973 0.804464 S\n0.750000 0.757027 0.304464 S\n0.750000 0.257027 0.195536 S\n0.250000 0.057720 0.912358 S\n0.250000 0.557720 0.587642 S\n0.750000 0.942280 0.087642 S\n0.750000 0.442280 0.412358 S\n0.250000 0.023750 0.285260 S\n0.250000 0.523750 0.214740 S\n0.750000 0.976250 0.714740 S\n0.750000 0.476250 0.785260 S\n","nsites":28,"nelements":3,"elements":["Nb","Fe","S"],"chemical_system":"Fe-Nb-S","density":5.1502181808274194,"density_atomic":0.05869071327708209,"volume":477.0771802995553,"volume_molar":10.260806904099361,"formula_full":"Nb8 Fe4 S16","formula_reduced":"Nb2FeS4","formula_anonymous":"AB2C4","energy":-205.24935403,"energy_per_atom":-7.3303340725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.20135403,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.3268625,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.394000Z","spacegroup":62},{"id":"mp-28801","created_at":"2022-09-04T14:40:52.289841Z","structure_string":"La10 Ti8 O30\n1.0\n2.779148 -4.813626 0.000000\n2.779148 4.813626 0.000000\n0.000000 0.000000 22.461088\nLa Ti O\n10 8 30\ndirect\n0.333333 0.666667 0.714655 La\n0.666667 0.333333 0.785345 La\n0.666667 0.333333 0.285345 La\n0.333333 0.666667 0.214655 La\n0.333333 0.666667 0.890947 La\n0.666667 0.333333 0.609053 La\n0.666667 0.333333 0.109053 La\n0.333333 0.666667 0.390947 La\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.657427 Ti\n0.000000 0.000000 0.842573 Ti\n0.000000 0.000000 0.342573 Ti\n0.000000 0.000000 0.157427 Ti\n0.333333 0.666667 0.551104 Ti\n0.666667 0.333333 0.948896 Ti\n0.666667 0.333333 0.448896 Ti\n0.333333 0.666667 0.051104 Ti\n0.117433 0.772293 0.803632 O\n0.227707 0.345139 0.803632 O\n0.654861 0.882567 0.803632 O\n0.345139 0.227707 0.696368 O\n0.882567 0.654861 0.696368 O\n0.772293 0.117433 0.696368 O\n0.882567 0.227707 0.196368 O\n0.772293 0.654861 0.196368 O\n0.345139 0.117433 0.196368 O\n0.654861 0.772293 0.303632 O\n0.117433 0.345139 0.303632 O\n0.227707 0.882567 0.303632 O\n0.204152 0.877499 0.599336 O\n0.122501 0.326653 0.599336 O\n0.673347 0.795848 0.599336 O\n0.326653 0.122501 0.900664 O\n0.795848 0.673347 0.900664 O\n0.877499 0.204152 0.900664 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.122501 0.795848 0.099336 O\n0.204152 0.326653 0.099336 O\n0.673347 0.877499 0.099336 O\n0.326653 0.204152 0.400664 O\n0.877499 0.673347 0.400664 O\n0.795848 0.122501 0.400664 O\n","nsites":48,"nelements":3,"elements":["La","Ti","O"],"chemical_system":"La-O-Ti","density":6.2225359498753,"density_atomic":0.07987234457098183,"volume":600.9589459007659,"volume_molar":7.5397070066575775,"formula_full":"La10 Ti8 O30","formula_reduced":"La5Ti4O15","formula_anonymous":"A4B5C15","energy":-439.40929067,"energy_per_atom":-9.154360222291666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-418.79929067,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.3600577,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.668000Z","spacegroup":165},{"id":"mp-1232981","created_at":"2022-09-04T14:40:52.291900Z","structure_string":"Li1 V4 Ge4 O16\n1.0\n4.437474 0.029973 -0.301265\n0.032741 4.764990 -0.002207\n0.781026 0.000040 11.500488\nLi V Ge O\n1 4 4 16\ndirect\n0.000000 0.250032 0.700020 Li\n0.000002 0.750030 0.561772 V\n0.500005 0.749998 0.071877 V\n0.500001 0.250005 0.931380 V\n0.999993 0.249943 0.430921 V\n0.000017 0.750019 0.823329 Ge\n0.500013 0.250027 0.673949 Ge\n0.499988 0.749950 0.321664 Ge\n0.999995 0.249986 0.178352 Ge\n0.223594 0.079580 0.305911 O\n0.254411 0.576784 0.434683 O\n0.248392 0.077986 0.060424 O\n0.249591 0.093425 0.564748 O\n0.275177 0.581158 0.191455 O\n0.268132 0.082585 0.807743 O\n0.228027 0.577157 0.695149 O\n0.251662 0.576563 0.937711 O\n0.751604 0.422001 0.060423 O\n0.776400 0.420380 0.305913 O\n0.724822 0.918814 0.191456 O\n0.731864 0.417437 0.807743 O\n0.745541 0.923207 0.434670 O\n0.748334 0.923450 0.937709 O\n0.750432 0.406606 0.564743 O\n0.772002 0.922880 0.695145 O\n","nsites":25,"nelements":4,"elements":["Li","V","Ge","O"],"chemical_system":"Ge-Li-O-V","density":5.14755407774889,"density_atomic":0.10234068110997825,"volume":244.28213422904895,"volume_molar":5.884405589922187,"formula_full":"Li1 V4 Ge4 O16","formula_reduced":"LiV4(GeO4)4","formula_anonymous":"AB4C4D16","energy":-188.25027455,"energy_per_atom":-7.530010982,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.45827455,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0864455,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.615000Z","spacegroup":3},{"id":"mp-1093967","created_at":"2022-09-04T14:40:52.293637Z","structure_string":"Al2 Cu1 Rh1\n1.0\n-4.754985 4.762870 6.666922\n4.754985 -4.762870 6.666922\n4.754985 4.762870 -6.666922\nAl Cu Rh\n2 1 1\ndirect\n0.255083 0.000000 0.255083 Al\n0.744917 0.000000 0.744917 Al\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Al","Cu","Rh"],"chemical_system":"Al-Cu-Rh","density":0.6060188965283264,"density_atomic":0.0066230303743715505,"volume":603.9531413714155,"volume_molar":90.92727074457109,"formula_full":"Al2 Cu1 Rh1","formula_reduced":"Al2CuRh","formula_anonymous":"ABC2","energy":-11.74541368,"energy_per_atom":-2.93635342,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.74541368,"band_gap":0.1204,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005094,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.821000Z","spacegroup":71},{"id":"mp-1102526","created_at":"2022-09-04T14:40:52.304336Z","structure_string":"Y2 V2 O8\n1.0\n5.094985 0.000000 0.000000\n0.000000 5.094985 0.000000\n-2.547493 -2.547493 5.682226\nY V O\n2 2 8\ndirect\n0.625000 0.875000 0.250000 Y\n0.375000 0.125000 0.750000 Y\n0.125000 0.375000 0.250000 V\n0.875000 0.625000 0.750000 V\n0.351590 0.199755 0.410967 O\n0.059377 0.711212 0.410967 O\n0.699755 0.559377 0.910967 O\n0.211212 0.851590 0.910967 O\n0.648410 0.800245 0.589033 O\n0.940623 0.288788 0.589033 O\n0.300245 0.440623 0.089033 O\n0.788788 0.148410 0.089033 O\n","nsites":12,"nelements":3,"elements":["Y","V","O"],"chemical_system":"O-V-Y","density":4.589598843787538,"density_atomic":0.08135362768253025,"volume":147.5041782626844,"volume_molar":7.402424368216814,"formula_full":"Y2 V2 O8","formula_reduced":"YVO4","formula_anonymous":"ABC4","energy":-108.53892664,"energy_per_atom":-9.044910553333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.64292663999998,"band_gap":2.8833,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007696,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.436000Z","spacegroup":88},{"id":"mp-753474","created_at":"2022-09-04T14:40:52.468135Z","structure_string":"Fe1 Co3 O8\n1.0\n5.030201 -2.891905 0.000000\n5.030201 2.891905 0.000000\n3.367621 0.000000 4.724951\nFe Co O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.280894 0.761237 0.761237 O\n0.761237 0.761237 0.280894 O\n0.761237 0.280894 0.761237 O\n0.266327 0.266327 0.266327 O\n0.733673 0.733673 0.733673 O\n0.238763 0.719106 0.238763 O\n0.238763 0.238763 0.719106 O\n0.719106 0.238763 0.238763 O\n","nsites":12,"nelements":3,"elements":["Fe","Co","O"],"chemical_system":"Co-Fe-O","density":4.356383122843688,"density_atomic":0.08729403733196846,"volume":137.4664337538368,"volume_molar":6.89868511534017,"formula_full":"Fe1 Co3 O8","formula_reduced":"FeCo3O8","formula_anonymous":"AB3C8","energy":-81.64030805,"energy_per_atom":-6.8033590041666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.97430805,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9859445,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.999000Z","spacegroup":166}]}