{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=63","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=61","results":[{"id":"mp-1233374","created_at":"2022-09-04T14:40:09.360396Z","structure_string":"Ba2 Mg1 V2 Si4 O14\n1.0\n-0.001424 -0.010608 5.595648\n7.348792 0.112669 -0.001790\n0.124531 7.698091 -2.810662\nBa Mg V Si O\n2 1 2 4 14\ndirect\n0.816205 0.751247 0.604451 Ba\n0.222618 0.233414 0.410166 Ba\n0.147412 0.492657 0.007774 Mg\n0.118035 0.762974 0.229256 V\n0.893477 0.221891 0.786380 V\n0.427960 0.519357 0.794328 Si\n0.644227 0.465408 0.219939 Si\n0.409135 0.963860 0.799269 Si\n0.621200 0.020413 0.215543 Si\n0.137385 0.444948 0.748298 O\n0.400881 0.539442 0.266920 O\n0.120979 0.048196 0.711205 O\n0.422991 0.936093 0.304666 O\n0.542260 0.492949 0.007159 O\n0.517868 0.991052 0.007616 O\n0.006323 0.732556 0.995245 O\n0.019033 0.252621 0.020416 O\n0.392363 0.742634 0.745956 O\n0.657808 0.241967 0.267643 O\n0.607708 0.429747 0.699850 O\n0.919200 0.555249 0.314699 O\n0.598993 0.047128 0.704699 O\n0.906935 0.938270 0.310395 O\n","nsites":23,"nelements":5,"elements":["Ba","Mg","V","Si","O"],"chemical_system":"Ba-Mg-O-Si-V","density":3.8706025520716807,"density_atomic":0.07272544130066975,"volume":316.25796404467036,"volume_molar":8.280652069339233,"formula_full":"Ba2 Mg1 V2 Si4 O14","formula_reduced":"Ba2MgV2(Si2O7)2","formula_anonymous":"AB2C2D4E14","energy":-184.5952741,"energy_per_atom":-8.025881482608696,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.5772741,"band_gap":2.0163999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9867124,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.403000Z","spacegroup":5},{"id":"mp-18839","created_at":"2022-09-04T14:40:04.893668Z","structure_string":"Pr2 Ni1 O4\n1.0\n3.725087 0.020155 -1.090727\n-0.343038 3.709312 -1.090727\n-0.029114 -0.032104 6.800441\nPr Ni O\n2 1 4\ndirect\n0.635736 0.635737 0.271309 Pr\n0.364264 0.364264 0.728692 Pr\n0.000000 0.000000 0.000000 Ni\n0.822142 0.822143 0.644177 O\n0.177858 0.177858 0.355824 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n","nsites":7,"nelements":3,"elements":["Pr","Ni","O"],"chemical_system":"Ni-O-Pr","density":7.16458731231955,"density_atomic":0.07466461537905877,"volume":93.7525756271865,"volume_molar":8.065588671992321,"formula_full":"Pr2 Ni1 O4","formula_reduced":"Pr2NiO4","formula_anonymous":"AB2C4","energy":-55.65904082,"energy_per_atom":-7.951291545714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.37004082,"band_gap":0.4779,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0015622,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.633000Z","spacegroup":139},{"id":"mp-1193984","created_at":"2022-09-04T14:40:03.637816Z","structure_string":"Eu4 Er8 Se16\n1.0\n4.113921 0.000000 0.000000\n0.000000 12.511489 0.000000\n0.000000 0.000000 14.855178\nEu Er Se\n4 8 16\ndirect\n0.250000 0.759317 0.334748 Eu\n0.250000 0.259317 0.165252 Eu\n0.750000 0.240683 0.665252 Eu\n0.750000 0.740683 0.834748 Eu\n0.250000 0.417584 0.902042 Er\n0.250000 0.917584 0.597958 Er\n0.750000 0.582416 0.097958 Er\n0.750000 0.082416 0.402042 Er\n0.250000 0.436617 0.389262 Er\n0.250000 0.936617 0.110738 Er\n0.750000 0.563383 0.610738 Er\n0.750000 0.063383 0.889262 Er\n0.250000 0.206006 0.826607 Se\n0.250000 0.706006 0.673393 Se\n0.750000 0.793994 0.173393 Se\n0.750000 0.293994 0.326607 Se\n0.250000 0.130754 0.530648 Se\n0.250000 0.630754 0.969352 Se\n0.750000 0.869246 0.469352 Se\n0.750000 0.369246 0.030648 Se\n0.250000 0.526086 0.215537 Se\n0.250000 0.026086 0.284463 Se\n0.750000 0.473914 0.784463 Se\n0.750000 0.973914 0.715537 Se\n0.250000 0.409397 0.578066 Se\n0.250000 0.909397 0.921934 Se\n0.750000 0.590603 0.421934 Se\n0.750000 0.090603 0.078066 Se\n","nsites":28,"nelements":3,"elements":["Eu","Er","Se"],"chemical_system":"Er-Eu-Se","density":6.969714421411293,"density_atomic":0.03661973736488832,"volume":764.6149867488377,"volume_molar":16.445068133596557,"formula_full":"Eu4 Er8 Se16","formula_reduced":"Eu(ErSe2)2","formula_anonymous":"AB2C4","energy":-195.06671921,"energy_per_atom":-6.966668543214285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-187.51471921,"band_gap":0.1958000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":28.0005063,"is_theoretical":false,"updated_at":"2021-11-28T01:34:46.993000Z","spacegroup":62},{"id":"mp-567942","created_at":"2022-09-04T14:40:04.042751Z","structure_string":"Cs2 Re1 Cl6\n1.0\n0.000000 5.341312 5.341312\n5.341312 0.000000 5.341312\n5.341312 5.341312 0.000000\nCs Re Cl\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Re\n0.776986 0.223014 0.223014 Cl\n0.223014 0.776986 0.223014 Cl\n0.223014 0.776986 0.776986 Cl\n0.776986 0.776986 0.223014 Cl\n0.223014 0.223014 0.776986 Cl\n0.776986 0.223014 0.776986 Cl\n","nsites":9,"nelements":3,"elements":["Cs","Re","Cl"],"chemical_system":"Cl-Cs-Re","density":3.6217994414482826,"density_atomic":0.02953035533566062,"volume":304.7711379595786,"volume_molar":20.393052137532905,"formula_full":"Cs2 Re1 Cl6","formula_reduced":"Cs2ReCl6","formula_anonymous":"AB2C6","energy":-41.02276273,"energy_per_atom":-4.5580847477777775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.33876273,"band_gap":1.2397,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9997568,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.471000Z","spacegroup":225},{"id":"mp-777828","created_at":"2022-09-04T14:40:03.640465Z","structure_string":"Li6 Mn2 V2 P6 O24\n1.0\n4.316147 7.536871 0.000000\n-4.316147 7.536871 0.000000\n0.000000 4.888302 7.306211\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.890487 0.739107 0.706686 Li\n0.348145 0.036220 0.676935 Li\n0.739107 0.890487 0.206686 Li\n0.362470 0.624248 0.745529 Li\n0.624248 0.362470 0.245529 Li\n0.036220 0.348145 0.176935 Li\n0.852010 0.358898 0.855894 Mn\n0.358898 0.852010 0.355894 Mn\n0.642590 0.152453 0.640595 V\n0.152453 0.642590 0.140595 V\n0.530733 0.748507 0.954291 P\n0.748507 0.530733 0.454291 P\n0.954405 0.043228 0.258077 P\n0.249500 0.474176 0.538871 P\n0.043228 0.954405 0.758077 P\n0.474176 0.249500 0.038871 P\n0.730931 0.592124 0.912917 O\n0.379154 0.712827 0.942980 O\n0.747567 0.489535 0.642257 O\n0.712827 0.379154 0.442980 O\n0.549752 0.930759 0.793771 O\n0.926744 0.240170 0.109940 O\n0.930759 0.549752 0.293771 O\n0.005821 0.120852 0.809273 O\n0.888972 0.984956 0.694962 O\n0.592124 0.730931 0.412917 O\n0.240170 0.926744 0.609940 O\n0.520773 0.261892 0.841706 O\n0.489535 0.747567 0.142257 O\n0.769850 0.052841 0.423281 O\n0.397650 0.272175 0.584742 O\n0.120852 0.005821 0.309273 O\n0.984956 0.888972 0.194962 O\n0.054272 0.480536 0.680267 O\n0.052841 0.769850 0.923281 O\n0.480536 0.054272 0.180267 O\n0.294512 0.619176 0.551484 O\n0.261892 0.520773 0.341706 O\n0.619176 0.294512 0.051484 O\n0.272175 0.397650 0.084742 O\n","nsites":40,"nelements":5,"elements":["Li","Mn","V","P","O"],"chemical_system":"Li-Mn-O-P-V","density":2.8758252422255977,"density_atomic":0.08414929384050371,"volume":475.3456407586244,"volume_molar":7.156495895752074,"formula_full":"Li6 Mn2 V2 P6 O24","formula_reduced":"Li3MnV(PO4)3","formula_anonymous":"ABC3D3E12","energy":-304.02687261,"energy_per_atom":-7.60067181525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-280.80287261,"band_gap":0.2985,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.338000Z","spacegroup":9},{"id":"mp-1202140","created_at":"2022-09-04T14:40:09.386019Z","structure_string":"Nd4 B28 Cl4 O72\n1.0\n8.332499 0.000000 0.000000\n0.000000 16.740411 0.000000\n-8.333242 0.000000 9.962063\nNd B Cl O\n4 28 4 72\ndirect\n0.017023 0.704088 0.280910 Nd\n0.017023 0.795912 0.780910 Nd\n0.982977 0.295912 0.719090 Nd\n0.982977 0.204088 0.219090 Nd\n0.497843 0.699644 0.661488 B\n0.497843 0.800356 0.161488 B\n0.502157 0.300356 0.338512 B\n0.502157 0.199644 0.838512 B\n0.396544 0.708902 0.281019 B\n0.396544 0.791098 0.781019 B\n0.603456 0.291098 0.718981 B\n0.603456 0.208902 0.218981 B\n0.760482 0.715070 0.920656 B\n0.760482 0.784930 0.420656 B\n0.239518 0.284930 0.079344 B\n0.239518 0.215070 0.579344 B\n0.593192 0.758102 0.020564 B\n0.593192 0.741898 0.520564 B\n0.406808 0.241898 0.979436 B\n0.406808 0.258102 0.479436 B\n0.125149 0.736556 0.553262 B\n0.125149 0.763444 0.053262 B\n0.874851 0.263444 0.446738 B\n0.874851 0.236556 0.946738 B\n0.292938 0.563910 0.234534 B\n0.292938 0.936090 0.734534 B\n0.707062 0.436090 0.765466 B\n0.707062 0.063910 0.265466 B\n0.691315 0.585259 0.810781 B\n0.691315 0.914741 0.310781 B\n0.308685 0.414741 0.189219 B\n0.308685 0.085259 0.689219 B\n0.170525 0.920206 0.312421 Cl\n0.170525 0.579794 0.812421 Cl\n0.829475 0.079794 0.687579 Cl\n0.829475 0.420206 0.187579 Cl\n0.762240 0.733359 0.032674 O\n0.762240 0.766641 0.532674 O\n0.237760 0.266641 0.967326 O\n0.237760 0.233359 0.467326 O\n0.273291 0.710869 0.545056 O\n0.273291 0.789131 0.045056 O\n0.726709 0.289131 0.454944 O\n0.726709 0.210869 0.954944 O\n0.412639 0.716990 0.400317 O\n0.412639 0.783010 0.900317 O\n0.587361 0.283010 0.599683 O\n0.587361 0.216990 0.099683 O\n0.180177 0.735003 0.171012 O\n0.180177 0.764997 0.671012 O\n0.819823 0.264997 0.828988 O\n0.819823 0.235003 0.328988 O\n0.548085 0.616661 0.684619 O\n0.548085 0.883339 0.184619 O\n0.451915 0.383339 0.315381 O\n0.451915 0.116661 0.815381 O\n0.923099 0.735115 0.434365 O\n0.923099 0.764885 0.934365 O\n0.076901 0.264885 0.565635 O\n0.076901 0.235115 0.065635 O\n0.548189 0.738554 0.787921 O\n0.548189 0.761446 0.287921 O\n0.451811 0.261446 0.212079 O\n0.451811 0.238554 0.712079 O\n0.628053 0.756982 0.138802 O\n0.628053 0.743018 0.638802 O\n0.371947 0.243018 0.861198 O\n0.371947 0.256982 0.361198 O\n0.169912 0.584244 0.267541 O\n0.169912 0.915756 0.767541 O\n0.830088 0.415756 0.732459 O\n0.830088 0.084244 0.232459 O\n0.426921 0.625264 0.264083 O\n0.426921 0.874736 0.764083 O\n0.573079 0.374736 0.735917 O\n0.573079 0.125264 0.235917 O\n0.078524 0.554000 0.403181 O\n0.078524 0.946000 0.903181 O\n0.921476 0.446000 0.596819 O\n0.921476 0.054000 0.096819 O\n0.055330 0.851842 0.312600 O\n0.055330 0.648158 0.812600 O\n0.944670 0.148158 0.687400 O\n0.944670 0.351842 0.187400 O\n0.787547 0.592750 0.221188 O\n0.787547 0.907250 0.721188 O\n0.212453 0.407250 0.778812 O\n0.212453 0.092750 0.278812 O\n0.143007 0.988234 0.369997 O\n0.143007 0.511766 0.869997 O\n0.856993 0.011766 0.630003 O\n0.856993 0.488234 0.130003 O\n0.386964 0.900031 0.388552 O\n0.386964 0.599969 0.888552 O\n0.613036 0.099969 0.611448 O\n0.613036 0.400031 0.111448 O\n0.072184 0.935958 0.170715 O\n0.072184 0.564042 0.670715 O\n0.927816 0.064042 0.829285 O\n0.927816 0.435958 0.329285 O\n0.800929 0.631987 0.923099 O\n0.800929 0.868013 0.423099 O\n0.199071 0.368013 0.076901 O\n0.199071 0.131987 0.576901 O\n0.276969 0.495925 0.173331 O\n0.276969 0.004075 0.673331 O\n0.723031 0.504075 0.826669 O\n0.723031 0.995925 0.326669 O\n","nsites":108,"nelements":4,"elements":["Nd","B","Cl","O"],"chemical_system":"B-Cl-Nd-O","density":2.5972098527960115,"density_atomic":0.07772005246223737,"volume":1389.6027676058898,"volume_molar":7.748503210192812,"formula_full":"Nd4 B28 Cl4 O72","formula_reduced":"NdB7ClO18","formula_anonymous":"ABC7D18","energy":-799.5615467900001,"energy_per_atom":-7.403347655462964,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-750.09754679,"band_gap":0.0999999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.3672597,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.988000Z","spacegroup":14},{"id":"mp-1097461","created_at":"2022-09-04T14:40:02.642643Z","structure_string":"Zr1 Al1 Fe2\n1.0\n-4.556622 5.353902 7.537138\n4.556622 -5.353902 7.537138\n4.556622 5.353902 -7.537138\nZr Al Fe\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n0.000000 0.263424 0.263424 Fe\n0.000000 0.736576 0.736576 Fe\n","nsites":4,"nelements":3,"elements":["Zr","Al","Fe"],"chemical_system":"Al-Fe-Zr","density":0.5190387262451697,"density_atomic":0.005438512272929688,"volume":735.4952603325153,"volume_molar":110.73139965088129,"formula_full":"Zr1 Al1 Fe2","formula_reduced":"ZrAlFe2","formula_anonymous":"ABC2","energy":-17.66606024,"energy_per_atom":-4.41651506,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.66606024,"band_gap":0.0239999999999995,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.1162199,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.363000Z","spacegroup":71},{"id":"mp-1205753","created_at":"2022-09-04T14:40:09.452955Z","structure_string":"K3 Yb1 F6\n1.0\n-4.642333 -4.642333 0.000000\n-4.642333 0.000000 -4.642333\n0.000000 -4.642333 -4.642333\nK Yb F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Yb\n0.767256 0.767256 0.232744 F\n0.232744 0.232744 0.767256 F\n0.767256 0.232744 0.767256 F\n0.232744 0.767256 0.232744 F\n0.232744 0.767256 0.767256 F\n0.767256 0.232744 0.232744 F\n","nsites":10,"nelements":3,"elements":["K","Yb","F"],"chemical_system":"F-K-Yb","density":3.3553758221604446,"density_atomic":0.049975958841050674,"volume":200.09621089622627,"volume_molar":12.050075475597204,"formula_full":"K3 Yb1 F6","formula_reduced":"K3YbF6","formula_anonymous":"AB3C6","energy":-47.05480618,"energy_per_atom":-4.705480618,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.28280618000001,"band_gap":6.0621,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.0004263,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.498000Z","spacegroup":225},{"id":"mp-1220432","created_at":"2022-09-04T14:40:04.934899Z","structure_string":"Nd4 Ti2 Cu2 O12\n1.0\n5.837804 0.000000 0.000000\n0.000000 5.501651 0.000000\n0.000000 5.519411 7.608470\nNd Ti Cu O\n4 2 2 12\ndirect\n0.068283 0.763548 0.751016 Nd\n0.568283 0.236452 0.748984 Nd\n0.931717 0.236452 0.248984 Nd\n0.431717 0.763548 0.251016 Nd\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.468351 0.651546 0.751669 O\n0.968351 0.348454 0.748331 O\n0.531649 0.348454 0.248331 O\n0.031649 0.651546 0.251669 O\n0.819336 0.759688 0.951700 O\n0.319336 0.240312 0.548300 O\n0.212930 0.866344 0.449078 O\n0.712930 0.133656 0.050922 O\n0.180664 0.240312 0.048300 O\n0.680664 0.759688 0.451700 O\n0.787070 0.133656 0.550922 O\n0.287070 0.866344 0.949078 O\n","nsites":20,"nelements":4,"elements":["Nd","Ti","Cu","O"],"chemical_system":"Cu-Nd-O-Ti","density":6.739497890897981,"density_atomic":0.08184461613067746,"volume":244.3654933644864,"volume_molar":7.358016989638916,"formula_full":"Nd4 Ti2 Cu2 O12","formula_reduced":"Nd2TiCuO6","formula_anonymous":"ABC2D6","energy":-165.34035608,"energy_per_atom":-8.267017804,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.09635608,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9963113,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.997000Z","spacegroup":14},{"id":"mp-1200742","created_at":"2022-09-04T14:40:09.839328Z","structure_string":"Tm8 C8 O32\n1.0\n9.463979 0.000000 0.000000\n0.000000 9.463979 0.000000\n0.000000 0.000000 7.832953\nTm C O\n8 8 32\ndirect\n0.729604 0.270396 0.000000 Tm\n0.729604 0.729604 0.000000 Tm\n0.270396 0.270396 0.000000 Tm\n0.270396 0.729604 0.000000 Tm\n0.770396 0.229604 0.500000 Tm\n0.770396 0.770396 0.500000 Tm\n0.229604 0.229604 0.500000 Tm\n0.229604 0.770396 0.500000 Tm\n0.749104 0.000000 0.157808 C\n0.250896 0.000000 0.157808 C\n0.500000 0.249104 0.657808 C\n0.500000 0.750896 0.657808 C\n0.750896 0.500000 0.342192 C\n0.249104 0.500000 0.342192 C\n0.000000 0.250896 0.842192 C\n0.000000 0.749104 0.842192 C\n0.500000 0.257581 0.042306 O\n0.500000 0.742419 0.042306 O\n0.757581 0.000000 0.542306 O\n0.242419 0.000000 0.542306 O\n0.000000 0.242419 0.457694 O\n0.000000 0.757581 0.457694 O\n0.742419 0.500000 0.957694 O\n0.257581 0.500000 0.957694 O\n0.737868 0.000000 0.993828 O\n0.262132 0.000000 0.993828 O\n0.500000 0.237868 0.493828 O\n0.500000 0.762132 0.493828 O\n0.762132 0.500000 0.506172 O\n0.237868 0.500000 0.506172 O\n0.000000 0.262132 0.006172 O\n0.000000 0.737868 0.006172 O\n0.744946 0.380288 0.263354 O\n0.744946 0.619712 0.263354 O\n0.255054 0.380288 0.263354 O\n0.255054 0.619712 0.263354 O\n0.880288 0.244946 0.763354 O\n0.880288 0.755054 0.763354 O\n0.119712 0.244946 0.763354 O\n0.119712 0.755054 0.763354 O\n0.755054 0.119712 0.236646 O\n0.755054 0.880288 0.236646 O\n0.244946 0.119712 0.236646 O\n0.244946 0.880288 0.236646 O\n0.619712 0.255054 0.736646 O\n0.619712 0.744946 0.736646 O\n0.380288 0.255054 0.736646 O\n0.380288 0.744946 0.736646 O\n","nsites":48,"nelements":3,"elements":["Tm","C","O"],"chemical_system":"C-O-Tm","density":4.637994099416372,"density_atomic":0.06841765438033699,"volume":701.5733064037203,"volume_molar":8.802027509628777,"formula_full":"Tm8 C8 O32","formula_reduced":"TmCO4","formula_anonymous":"ABC4","energy":-390.01098479,"energy_per_atom":-8.125228849791666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-368.02698479,"band_gap":0.4881,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0019069,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.409000Z","spacegroup":137},{"id":"mp-1101579","created_at":"2022-09-04T14:40:02.680752Z","structure_string":"Li4 Mn4 P16 O48\n1.0\n9.377554 0.000000 0.000000\n0.000000 9.309342 0.000000\n0.000000 8.889559 9.356776\nLi Mn P O\n4 4 16 48\ndirect\n0.009491 0.741654 0.751670 Li\n0.513519 0.243539 0.753654 Li\n0.486481 0.243539 0.253654 Li\n0.990509 0.741654 0.251670 Li\n0.269416 0.496708 0.748952 Mn\n0.231706 0.983858 0.249822 Mn\n0.768294 0.983858 0.749822 Mn\n0.730584 0.496708 0.248952 Mn\n0.020548 0.748065 0.000616 P\n0.027808 0.252821 0.500977 P\n0.249142 0.980811 0.999069 P\n0.247563 0.519612 0.997673 P\n0.248503 0.029179 0.501607 P\n0.245367 0.472041 0.501892 P\n0.468146 0.250274 0.502311 P\n0.481409 0.752823 0.997076 P\n0.518591 0.752823 0.497076 P\n0.531854 0.250274 0.002311 P\n0.751497 0.029179 0.001607 P\n0.750858 0.980811 0.499069 P\n0.754633 0.472041 0.001892 P\n0.752437 0.519612 0.497673 P\n0.972192 0.252821 0.000977 P\n0.979452 0.748065 0.500616 P\n0.052593 0.440284 0.882036 O\n0.050918 0.059297 0.120674 O\n0.056744 0.566911 0.624037 O\n0.060340 0.933889 0.374990 O\n0.132695 0.695764 0.932214 O\n0.131105 0.808194 0.064167 O\n0.135871 0.290443 0.578196 O\n0.134635 0.206944 0.429729 O\n0.173493 0.663989 0.380925 O\n0.177117 0.835627 0.620835 O\n0.189380 0.321506 0.123486 O\n0.192298 0.181089 0.875931 O\n0.310861 0.562741 0.869205 O\n0.311263 0.936685 0.127243 O\n0.319005 0.438025 0.622695 O\n0.321629 0.070634 0.379537 O\n0.362263 0.436353 0.430678 O\n0.360356 0.068110 0.575308 O\n0.372776 0.931489 0.938272 O\n0.373548 0.573781 0.053585 O\n0.445496 0.686948 0.627354 O\n0.437055 0.815327 0.372202 O\n0.459867 0.296527 0.878472 O\n0.452843 0.207095 0.120804 O\n0.547157 0.207095 0.620804 O\n0.540133 0.296527 0.378472 O\n0.562945 0.815327 0.872202 O\n0.554504 0.686948 0.127354 O\n0.627224 0.931489 0.438272 O\n0.626452 0.573781 0.553585 O\n0.637737 0.436353 0.930678 O\n0.639644 0.068110 0.075308 O\n0.678371 0.070634 0.879537 O\n0.680995 0.438025 0.122695 O\n0.689139 0.562741 0.369205 O\n0.688737 0.936685 0.627243 O\n0.810620 0.321506 0.623486 O\n0.807702 0.181089 0.375931 O\n0.826507 0.663989 0.880925 O\n0.822883 0.835627 0.120835 O\n0.865365 0.206944 0.929729 O\n0.864129 0.290443 0.078196 O\n0.868895 0.808194 0.564167 O\n0.867305 0.695764 0.432214 O\n0.943256 0.566911 0.124037 O\n0.939660 0.933889 0.874990 O\n0.949082 0.059297 0.620674 O\n0.947407 0.440284 0.382036 O\n","nsites":72,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.0718371710400185,"density_atomic":0.0881450045860766,"volume":816.8358529006547,"volume_molar":6.832084005531106,"formula_full":"Li4 Mn4 P16 O48","formula_reduced":"LiMn(PO3)4","formula_anonymous":"ABC4D12","energy":-545.63075093,"energy_per_atom":-7.578204874027778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-505.98275093,"band_gap":0.1154000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.162000Z","spacegroup":7},{"id":"mp-560231","created_at":"2022-09-04T14:40:12.451131Z","structure_string":"Cu1 Sb2 Xe6 F24\n1.0\n8.244798 -5.150413 0.000000\n8.244798 5.150413 0.000000\n5.027405 0.000000 8.320375\nCu Sb Xe F\n1 2 6 24\ndirect\n0.500000 0.500000 0.500000 Cu\n0.247284 0.247284 0.247284 Sb\n0.752716 0.752716 0.752716 Sb\n0.278870 0.203593 0.764465 Xe\n0.764465 0.278870 0.203593 Xe\n0.796407 0.235535 0.721130 Xe\n0.203593 0.764465 0.278870 Xe\n0.235535 0.721130 0.796407 Xe\n0.721130 0.796407 0.235535 Xe\n0.867410 0.628303 0.909321 F\n0.120254 0.399642 0.365946 F\n0.707346 0.556401 0.384318 F\n0.600358 0.634054 0.879746 F\n0.980726 0.905809 0.262243 F\n0.132590 0.371697 0.090679 F\n0.384318 0.707346 0.556401 F\n0.292654 0.443599 0.615682 F\n0.019274 0.094191 0.737757 F\n0.879746 0.600358 0.634054 F\n0.556401 0.384318 0.707346 F\n0.615682 0.292654 0.443599 F\n0.094191 0.737757 0.019274 F\n0.262243 0.980726 0.905809 F\n0.371697 0.090679 0.132590 F\n0.365946 0.120254 0.399642 F\n0.399642 0.365946 0.120254 F\n0.737757 0.019274 0.094191 F\n0.634054 0.879746 0.600358 F\n0.909321 0.867410 0.628303 F\n0.443599 0.615682 0.292654 F\n0.628303 0.909321 0.867410 F\n0.090679 0.132590 0.371697 F\n0.905809 0.262243 0.980726 F\n","nsites":33,"nelements":4,"elements":["Cu","Sb","Xe","F"],"chemical_system":"Cu-F-Sb-Xe","density":3.644231076189028,"density_atomic":0.046700224516924245,"volume":706.6347183842926,"volume_molar":12.89531436367627,"formula_full":"Cu1 Sb2 Xe6 F24","formula_reduced":"CuSb2(XeF4)6","formula_anonymous":"AB2C6D24","energy":-110.331908,"energy_per_atom":-3.3433911515151515,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.243908,"band_gap":2.1730000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0007948,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.109000Z","spacegroup":148}]}