{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=10136","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=10134","results":[{"id":"mp-675472","created_at":"2022-09-04T14:47:40.071523Z","structure_string":"Al17 N3 O21\n1.0\n-5.707182 0.000000 0.000000\n-0.057171 -7.997937 0.000000\n2.842144 3.902157 8.448489\nAl N O\n17 3 21\ndirect\n0.998158 0.995032 0.005523 Al\n0.502066 0.255172 0.994050 Al\n0.324825 0.323712 0.669344 Al\n0.740620 0.632063 0.991116 Al\n0.837738 0.588335 0.660079 Al\n0.656695 0.662733 0.335884 Al\n0.920482 0.288721 0.827112 Al\n0.252123 0.630179 0.989972 Al\n0.095261 0.959331 0.673007 Al\n0.177842 0.920340 0.331318 Al\n0.267621 0.626448 0.509568 Al\n0.583906 0.952067 0.675609 Al\n0.418894 0.292528 0.334506 Al\n0.750078 0.118358 0.498037 Al\n0.570016 0.958244 0.158356 Al\n0.918110 0.291727 0.333419 Al\n0.092170 0.465079 0.171586 Al\n0.439880 0.054023 0.333848 N\n0.057764 0.194037 0.663123 N\n0.396008 0.529254 0.332735 N\n0.920801 0.544449 0.840758 O\n0.253623 0.868849 0.009562 O\n0.079506 0.712819 0.647796 O\n0.426741 0.531791 0.847607 O\n0.257427 0.871302 0.509620 O\n0.415682 0.047274 0.822289 O\n0.754026 0.872657 0.017390 O\n0.581679 0.713326 0.658248 O\n0.599597 0.200476 0.670796 O\n0.751237 0.884505 0.510004 O\n0.751822 0.364796 0.488698 O\n0.910222 0.040182 0.828874 O\n0.593957 0.207050 0.169323 O\n0.907664 0.050056 0.330390 O\n0.775853 0.384077 0.998913 O\n0.921604 0.529198 0.326999 O\n0.240140 0.377872 0.494222 O\n0.079416 0.221077 0.173913 O\n0.074504 0.692909 0.152986 O\n0.231215 0.383039 0.998924 O\n0.578756 0.705597 0.153308 O\n","nsites":41,"nelements":3,"elements":["Al","N","O"],"chemical_system":"Al-N-O","density":3.6027724208218794,"density_atomic":0.10631758734365532,"volume":385.6370429802341,"volume_molar":5.664294036822292,"formula_full":"Al17 N3 O21","formula_reduced":"Al17(NO7)3","formula_anonymous":"A3B17C21","energy":-320.30047383,"energy_per_atom":-7.812206678780488,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.79047383,"band_gap":4.033499999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001886,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.495000Z","spacegroup":1},{"id":"mp-976159","created_at":"2022-09-04T14:44:25.574862Z","structure_string":"Pr1 Er1 In2\n1.0\n0.000000 3.826187 3.826187\n3.826187 0.000000 3.826187\n3.826187 3.826187 0.000000\nPr Er In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Er\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n","nsites":4,"nelements":3,"elements":["Pr","Er","In"],"chemical_system":"Er-In-Pr","density":7.9715626613709265,"density_atomic":0.03570519590450195,"volume":112.02851290043344,"volume_molar":16.866286845497154,"formula_full":"Pr1 Er1 In2","formula_reduced":"PrErIn2","formula_anonymous":"ABC2","energy":-16.67057208,"energy_per_atom":-4.16764302,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.67057208,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001885,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.295000Z","spacegroup":225},{"id":"mp-1246303","created_at":"2022-09-04T14:39:09.329389Z","structure_string":"Mg4 Ir2 N6\n1.0\n6.263663 -0.025464 0.000000\n-3.154418 5.462993 0.000000\n0.000000 0.000000 4.378916\nMg Ir N\n4 2 6\ndirect\n0.337690 0.333902 0.433092 Mg\n0.662310 0.996211 0.433092 Mg\n0.662310 0.666098 0.933092 Mg\n0.337690 0.003789 0.933092 Mg\n0.000000 0.677039 0.441382 Ir\n0.000000 0.322961 0.941382 Ir\n0.312841 0.330757 0.931205 N\n0.687159 0.017917 0.931205 N\n0.687159 0.669243 0.431205 N\n0.312841 0.982083 0.431205 N\n0.000000 0.627331 0.902024 N\n0.000000 0.372669 0.402024 N\n","nsites":12,"nelements":3,"elements":["Mg","Ir","N"],"chemical_system":"Ir-Mg-N","density":6.2838504724264475,"density_atomic":0.08027425150794623,"volume":149.4875352255653,"volume_molar":7.501958158281771,"formula_full":"Mg4 Ir2 N6","formula_reduced":"Mg2IrN3","formula_anonymous":"AB2C3","energy":-77.42069483,"energy_per_atom":-6.451724569166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.25469483,"band_gap":0.0742000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001885,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.587000Z","spacegroup":36},{"id":"mp-1180666","created_at":"2022-09-04T14:42:23.766318Z","structure_string":"Li16 Be8 H32\n1.0\n6.983421 0.000000 -0.441225\n0.000000 8.237050 0.000000\n-0.004173 0.000000 8.290810\nLi Be H\n16 8 32\ndirect\n0.686074 0.423555 0.942000 Li\n0.313926 0.923555 0.558000 Li\n0.313926 0.576445 0.058000 Li\n0.686074 0.076445 0.442000 Li\n0.120203 0.285522 0.919134 Li\n0.879797 0.785522 0.580866 Li\n0.879797 0.714478 0.080866 Li\n0.120203 0.214478 0.419134 Li\n0.837698 0.415183 0.591481 Li\n0.162302 0.915183 0.908519 Li\n0.162302 0.584817 0.408519 Li\n0.837698 0.084817 0.091481 Li\n0.415619 0.570701 0.708304 Li\n0.584381 0.070701 0.791696 Li\n0.584381 0.429299 0.291696 Li\n0.415619 0.929299 0.208304 Li\n0.964345 0.431277 0.197786 Be\n0.035655 0.931277 0.302214 Be\n0.035655 0.568723 0.802214 Be\n0.964345 0.068723 0.697786 Be\n0.483420 0.294088 0.564463 Be\n0.516580 0.794088 0.935537 Be\n0.516580 0.705912 0.435537 Be\n0.483420 0.205912 0.064463 Be\n0.218278 0.499404 0.850641 H\n0.781722 0.999404 0.649359 H\n0.781722 0.500596 0.149359 H\n0.218278 0.000597 0.350641 H\n0.972706 0.406894 0.370732 H\n0.027294 0.906894 0.129268 H\n0.027294 0.593106 0.629268 H\n0.972706 0.093106 0.870732 H\n0.646863 0.297775 0.468162 H\n0.353137 0.797775 0.031838 H\n0.353137 0.702225 0.531838 H\n0.646863 0.202225 0.968162 H\n0.446020 0.375168 0.091321 H\n0.553980 0.875168 0.408679 H\n0.553980 0.624832 0.908679 H\n0.446020 0.124832 0.591321 H\n0.001770 0.283730 0.116761 H\n0.998230 0.783730 0.383239 H\n0.998230 0.716270 0.883239 H\n0.001770 0.216270 0.616761 H\n0.544775 0.371157 0.713558 H\n0.455225 0.871157 0.786442 H\n0.455225 0.628843 0.286442 H\n0.544775 0.128843 0.213558 H\n0.900959 0.442664 0.826248 H\n0.099041 0.942664 0.673752 H\n0.099041 0.557336 0.173752 H\n0.900959 0.057336 0.326248 H\n0.326984 0.373300 0.478422 H\n0.673016 0.873300 0.021578 H\n0.673016 0.626700 0.521578 H\n0.326984 0.126700 0.978422 H\n","nsites":56,"nelements":3,"elements":["Li","Be","H"],"chemical_system":"Be-H-Li","density":0.7500442955617296,"density_atomic":0.11742618430835584,"volume":476.8953392281447,"volume_molar":5.128447965392565,"formula_full":"Li16 Be8 H32","formula_reduced":"Li2BeH4","formula_anonymous":"AB2C4","energy":-191.50320989,"energy_per_atom":-3.419700176607143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.77520989,"band_gap":4.5911,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001885,"is_theoretical":false,"updated_at":"2021-11-28T01:35:48.101000Z","spacegroup":14},{"id":"mp-687234","created_at":"2022-09-04T14:41:33.787968Z","structure_string":"P4 W2 O16\n1.0\n2.622796 8.096338 0.000000\n-2.622796 8.096338 0.000000\n0.000000 1.359279 6.865400\nP W O\n4 2 16\ndirect\n0.662242 0.662242 0.383720 P\n0.663910 0.663910 0.953810 P\n0.337758 0.337758 0.616280 P\n0.336090 0.336090 0.046190 P\n0.893347 0.893347 0.299576 W\n0.106653 0.106653 0.700424 W\n0.849172 0.381023 0.890314 O\n0.618977 0.150828 0.109686 O\n0.371060 0.371060 0.814152 O\n0.381023 0.849172 0.890314 O\n0.855765 0.384315 0.493817 O\n0.615685 0.144235 0.506183 O\n0.628940 0.628940 0.185848 O\n0.150828 0.618977 0.109686 O\n0.755589 0.755589 0.887516 O\n0.002066 0.002066 0.258379 O\n0.243685 0.243685 0.641357 O\n0.756315 0.756315 0.358643 O\n0.384315 0.855765 0.493817 O\n0.244411 0.244411 0.112484 O\n0.144235 0.615685 0.506183 O\n0.997934 0.997934 0.741621 O\n","nsites":22,"nelements":3,"elements":["P","W","O"],"chemical_system":"O-P-W","density":4.257447814618378,"density_atomic":0.0754525108269348,"volume":291.57412734032584,"volume_molar":7.981365621898212,"formula_full":"P4 W2 O16","formula_reduced":"P2WO8","formula_anonymous":"AB2C8","energy":-179.76846665,"energy_per_atom":-8.171293938636364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.90046665,"band_gap":2.4666,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001885,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.668000Z","spacegroup":12},{"id":"mp-541083","created_at":"2022-09-04T14:48:04.970196Z","structure_string":"K2 P2 H10 C4 S4 N6 O6\n1.0\n6.760728 0.000000 0.000000\n-0.756840 -6.987428 0.000000\n-2.127538 0.228260 -10.293337\nK P H C S N O\n2 2 10 4 4 6 6\ndirect\n0.666473 0.640773 0.288711 K\n0.333527 0.359227 0.711289 K\n0.091990 0.197132 0.262270 P\n0.908010 0.802868 0.737730 P\n0.154658 0.872632 0.270908 H\n0.845342 0.127368 0.729092 H\n0.968430 0.411187 0.094928 H\n0.031570 0.588813 0.905072 H\n0.420979 0.142563 0.990080 H\n0.579021 0.857437 0.009920 H\n0.154989 0.588541 0.392136 H\n0.845011 0.411459 0.607864 H\n0.105687 0.756323 0.476009 H\n0.894313 0.243677 0.523991 H\n0.300011 0.987087 0.128780 C\n0.699989 0.012913 0.871220 C\n0.193021 0.290854 0.030439 C\n0.806979 0.709146 0.969561 C\n0.320854 0.334047 0.390775 S\n0.679146 0.665953 0.609225 S\n0.823658 0.150876 0.308772 S\n0.176342 0.849124 0.691228 S\n0.168859 0.990365 0.211383 N\n0.831141 0.009635 0.788617 N\n0.066979 0.306035 0.114741 N\n0.933021 0.693965 0.885259 N\n0.317645 0.144909 0.050775 N\n0.682355 0.855091 0.949225 N\n0.399319 0.849312 0.119574 O\n0.600681 0.150688 0.880426 O\n0.082525 0.705041 0.385714 O\n0.917475 0.294959 0.614286 O\n0.801385 0.600030 0.063202 O\n0.198615 0.399970 0.936798 O\n","nsites":34,"nelements":7,"elements":["K","P","H","C","S","N","O"],"chemical_system":"C-H-K-N-O-P-S","density":1.729878083269496,"density_atomic":0.06992168989363144,"volume":486.25827052696513,"volume_molar":8.612693384786892,"formula_full":"K2 P2 H10 C4 S4 N6 O6","formula_reduced":"KPH5C2S2(NO)3","formula_anonymous":"ABC2D2E3F3G5","energy":-213.50352286,"energy_per_atom":-6.279515378235295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-205.20352286,"band_gap":3.4045,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001885,"is_theoretical":false,"updated_at":"2021-11-28T01:38:27.784000Z","spacegroup":2},{"id":"mp-865930","created_at":"2022-09-04T14:46:06.490022Z","structure_string":"Ti1 Zn1 Cu2\n1.0\n0.000000 2.996806 2.996806\n2.996806 0.000000 2.996806\n2.996806 2.996806 0.000000\nTi Zn Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n","nsites":4,"nelements":3,"elements":["Ti","Zn","Cu"],"chemical_system":"Cu-Ti-Zn","density":7.4151486738286865,"density_atomic":0.07431117134652784,"volume":53.82770756427995,"volume_molar":8.103950793505266,"formula_full":"Ti1 Zn1 Cu2","formula_reduced":"TiZnCu2","formula_anonymous":"ABC2","energy":-18.02023604,"energy_per_atom":-4.50505901,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.02023604,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001885,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.133000Z","spacegroup":225},{"id":"mp-559025","created_at":"2022-09-04T14:47:42.985564Z","structure_string":"Ba2 Er2 Ag2 S6\n1.0\n2.029142 8.766896 0.000000\n-2.029142 8.766896 0.000000\n0.000000 1.936677 8.382430\nBa Er Ag S\n2 2 2 6\ndirect\n0.135853 0.135853 0.431112 Ba\n0.864147 0.864147 0.568888 Ba\n0.836174 0.836174 0.080438 Er\n0.163826 0.163826 0.919562 Er\n0.485369 0.485369 0.208687 Ag\n0.514631 0.514631 0.791313 Ag\n0.674710 0.674710 0.129439 S\n0.325290 0.325290 0.870561 S\n0.675956 0.675956 0.700916 S\n0.324044 0.324044 0.299084 S\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n","nsites":12,"nelements":4,"elements":["Ba","Er","Ag","S"],"chemical_system":"Ag-Ba-Er-S","density":5.664208521466769,"density_atomic":0.04023676162909794,"volume":298.2347364486207,"volume_molar":14.966763020125804,"formula_full":"Ba2 Er2 Ag2 S6","formula_reduced":"BaErAgS3","formula_anonymous":"ABCD3","energy":-65.7307378,"energy_per_atom":-5.477561483333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.7127378,"band_gap":0.9827999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001885,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.688000Z","spacegroup":12},{"id":"mp-1027929","created_at":"2022-09-04T14:45:06.723480Z","structure_string":"Li1 Mg14 Zr1\n1.0\n6.442276 -0.000000 -0.000000\n-3.221138 5.579174 0.000000\n0.000000 -0.000000 10.076373\nLi Mg Zr\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Li\n0.172135 0.836067 0.125000 Mg\n0.167855 0.833927 0.625000 Mg\n0.663933 0.327865 0.125000 Mg\n0.666073 0.332145 0.625000 Mg\n0.663933 0.836067 0.125000 Mg\n0.666073 0.833927 0.625000 Mg\n0.330670 0.169330 0.375380 Mg\n0.330670 0.169330 0.874620 Mg\n0.330670 0.661341 0.375380 Mg\n0.330670 0.661341 0.874620 Mg\n0.838659 0.169330 0.375380 Mg\n0.838659 0.169330 0.874620 Mg\n0.833333 0.666667 0.373068 Mg\n0.833333 0.666667 0.876932 Mg\n0.166667 0.333333 0.125000 Zr\n","nsites":16,"nelements":3,"elements":["Li","Mg","Zr"],"chemical_system":"Li-Mg-Zr","density":2.0102072972781895,"density_atomic":0.04417804711821606,"volume":362.17083016787933,"volume_molar":13.631523240231399,"formula_full":"Li1 Mg14 Zr1","formula_reduced":"LiMg14Zr","formula_anonymous":"ABC14","energy":-32.59678389,"energy_per_atom":-2.037298993125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.59678389,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001885,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.270000Z","spacegroup":187},{"id":"mp-1221096","created_at":"2022-09-04T14:44:24.696147Z","structure_string":"Na1 Ca2 Ta3 O10\n1.0\n-1.973197 1.973197 14.690783\n1.973197 -1.973197 14.690783\n1.973197 1.973197 -14.690783\nNa Ca Ta O\n1 2 3 10\ndirect\n0.250000 0.750000 0.500000 Na\n0.578244 0.578244 0.000000 Ca\n0.421756 0.421756 0.000000 Ca\n0.854422 0.854422 0.000000 Ta\n0.145578 0.145578 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.793198 0.793198 0.000000 O\n0.206802 0.206802 0.000000 O\n0.932919 0.932919 0.000000 O\n0.067081 0.067081 0.000000 O\n0.368222 0.868222 0.500000 O\n0.868921 0.368921 0.500000 O\n0.631079 0.131079 0.500000 O\n0.131778 0.631778 0.500000 O\n0.499952 0.999952 0.500000 O\n0.000048 0.500048 0.500000 O\n","nsites":16,"nelements":4,"elements":["Na","Ca","Ta","O"],"chemical_system":"Ca-Na-O-Ta","density":5.849643126613741,"density_atomic":0.06993171107157663,"volume":228.7946305735842,"volume_molar":8.611459190289523,"formula_full":"Na1 Ca2 Ta3 O10","formula_reduced":"NaCa2Ta3O10","formula_anonymous":"AB2C3D10","energy":-143.32307228,"energy_per_atom":-8.9576920175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.45307228,"band_gap":1.8947,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001885,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.779000Z","spacegroup":119},{"id":"mp-2920","created_at":"2022-09-04T14:44:12.800714Z","structure_string":"La2 Al2 O6\n1.0\n4.665399 -2.705700 0.000000\n4.665399 2.705700 0.000000\n3.096226 0.000000 4.415897\nLa Al O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.789219 0.710781 O\n0.710781 0.250000 0.789219 O\n0.789219 0.710781 0.250000 O\n0.750000 0.210781 0.289219 O\n0.210781 0.289219 0.750000 O\n0.289219 0.750000 0.210781 O\n","nsites":10,"nelements":3,"elements":["La","Al","O"],"chemical_system":"Al-La-O","density":6.371511635111078,"density_atomic":0.08969797440653073,"volume":111.48523772318231,"volume_molar":6.713797942310658,"formula_full":"La2 Al2 O6","formula_reduced":"LaAlO3","formula_anonymous":"ABC3","energy":-84.27286556,"energy_per_atom":-8.427286556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.15086556,"band_gap":4.0189,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001884,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.094000Z","spacegroup":167},{"id":"mp-18837","created_at":"2022-09-04T14:43:54.010429Z","structure_string":"K1 Sc1 Mo2 O8\n1.0\n2.942495 -5.096550 0.000000\n2.942495 5.096550 0.000000\n0.000000 0.000000 7.404866\nK Sc Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666667 0.248180 Mo\n0.666667 0.333333 0.751820 Mo\n0.329000 0.164500 0.828077 O\n0.835500 0.164500 0.828077 O\n0.835500 0.671000 0.828077 O\n0.164500 0.835500 0.171923 O\n0.333333 0.666667 0.484368 O\n0.666667 0.333333 0.515632 O\n0.164500 0.329000 0.171923 O\n0.671000 0.835500 0.171923 O\n","nsites":12,"nelements":4,"elements":["K","Sc","Mo","O"],"chemical_system":"K-Mo-O-Sc","density":3.02005847900433,"density_atomic":0.054030877861245795,"volume":222.09522545268737,"volume_molar":11.145739248333486,"formula_full":"K1 Sc1 Mo2 O8","formula_reduced":"KSc(MoO4)2","formula_anonymous":"ABC2D8","energy":-98.90261917,"energy_per_atom":-8.241884930833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.00261917,"band_gap":3.4136,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001884,"is_theoretical":false,"updated_at":"2021-11-28T01:36:10.320000Z","spacegroup":164}]}