{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=72","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=70","results":[{"id":"mp-975586","created_at":"2022-09-04T14:48:11.536505Z","structure_string":"Pr6 Y2\n1.0\n3.715575 -6.435564 0.000000\n3.715575 6.435564 0.000000\n0.000000 0.000000 5.978290\nPr Y\n6 2\ndirect\n0.167201 0.334402 0.250000 Pr\n0.665598 0.832799 0.250000 Pr\n0.167201 0.832799 0.250000 Pr\n0.832799 0.665598 0.750000 Pr\n0.334402 0.167201 0.750000 Pr\n0.832799 0.167201 0.750000 Pr\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n","nsites":8,"nelements":2,"elements":["Pr","Y"],"chemical_system":"Pr-Y","density":5.9431194161279715,"density_atomic":0.027981459753461908,"volume":285.9035972564022,"volume_molar":21.52189633085505,"formula_full":"Pr6 Y2","formula_reduced":"Pr3Y","formula_anonymous":"AB3","energy":-41.41916078,"energy_per_atom":-5.1773950975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.41916078,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0528222,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.551000Z","spacegroup":194},{"id":"mp-1178027","created_at":"2022-09-04T14:48:11.548263Z","structure_string":"Li2 Co1 Ni3 O8\n1.0\n5.104783 1.583107 -2.431979\n1.564908 -5.471560 0.086949\n1.548834 -2.424651 -4.834991\nLi Co Ni O\n2 1 3 8\ndirect\n0.499964 0.000025 0.500011 Li\n0.499988 0.500052 0.499975 Li\n0.999986 0.999921 0.999955 Co\n0.000038 0.999937 0.500098 Ni\n0.000050 0.500261 0.999797 Ni\n0.000072 0.500146 0.500071 Ni\n0.207402 0.254543 0.002237 O\n0.212796 0.209767 0.543266 O\n0.199419 0.741282 0.026646 O\n0.203830 0.723090 0.543056 O\n0.795974 0.276694 0.457059 O\n0.800570 0.258650 0.973434 O\n0.787113 0.790272 0.456671 O\n0.792786 0.745373 0.997737 O\n","nsites":14,"nelements":4,"elements":["Li","Co","Ni","O"],"chemical_system":"Co-Li-Ni-O","density":4.570444431609788,"density_atomic":0.10224028964531098,"volume":136.9323194267973,"volume_molar":5.890183587010399,"formula_full":"Li2 Co1 Ni3 O8","formula_reduced":"Li2CoNi3O8","formula_anonymous":"AB2C3D8","energy":-85.5087472,"energy_per_atom":-6.107767657142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.7517472,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.999423,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.097000Z","spacegroup":2},{"id":"mp-21867","created_at":"2022-09-04T14:48:10.300452Z","structure_string":"Na4 Fe4 Si8 O24\n1.0\n-0.027023 0.000000 5.363047\n-9.343462 -0.000006 -2.400807\n-0.000006 -8.907234 0.000000\nNa Fe Si O\n4 4 8 24\ndirect\n0.750000 0.500000 0.200707 Na\n0.250000 0.000000 0.700708 Na\n0.250000 0.500000 0.799293 Na\n0.750000 0.000000 0.299294 Na\n0.250003 0.000001 0.102058 Fe\n0.249996 0.500001 0.397930 Fe\n0.749998 0.500000 0.602063 Fe\n0.750001 0.000000 0.897926 Fe\n0.943955 0.709954 0.910960 Si\n0.443955 0.209954 0.410962 Si\n0.556045 0.290046 0.910960 Si\n0.056045 0.790046 0.410962 Si\n0.056045 0.290046 0.089039 Si\n0.556045 0.790045 0.589042 Si\n0.443954 0.709954 0.089039 Si\n0.943955 0.209954 0.589041 Si\n0.022323 0.885846 0.921987 O\n0.522320 0.385846 0.421984 O\n0.477678 0.114155 0.921987 O\n0.977679 0.614155 0.421984 O\n0.977680 0.114154 0.078018 O\n0.477678 0.614154 0.578015 O\n0.522321 0.885846 0.078018 O\n0.022322 0.385846 0.578014 O\n0.941565 0.640121 0.745898 O\n0.441565 0.140122 0.245900 O\n0.558435 0.359879 0.745898 O\n0.058436 0.859878 0.245899 O\n0.058434 0.359877 0.254101 O\n0.558435 0.859880 0.754104 O\n0.441564 0.640122 0.254101 O\n0.941565 0.140121 0.754104 O\n0.660561 0.649209 0.992159 O\n0.160558 0.149209 0.492156 O\n0.839440 0.350791 0.992159 O\n0.339441 0.850791 0.492157 O\n0.339442 0.350791 0.007845 O\n0.839440 0.850791 0.507843 O\n0.160558 0.649209 0.007845 O\n0.660560 0.149208 0.507843 O\n","nsites":40,"nelements":4,"elements":["Na","Fe","Si","O"],"chemical_system":"Fe-Na-O-Si","density":3.4332145025839362,"density_atomic":0.08950262703342,"volume":446.9142563275168,"volume_molar":6.728451398137567,"formula_full":"Na4 Fe4 Si8 O24","formula_reduced":"NaFe(SiO3)2","formula_anonymous":"ABC2D6","energy":-310.57745426,"energy_per_atom":-7.764436356500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-285.06545426,"band_gap":2.4223,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:31.610000Z","spacegroup":15},{"id":"mp-677308","created_at":"2022-09-04T14:48:10.334343Z","structure_string":"Na2 Pr4 Cl12\n1.0\n3.955706 0.000000 0.000000\n0.000000 7.989912 0.000000\n0.000000 7.989339 13.862611\nNa Pr Cl\n2 4 12\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.750072 0.833303 0.666681 Pr\n0.749928 0.833303 0.166681 Pr\n0.250072 0.166697 0.833319 Pr\n0.249928 0.166697 0.333319 Pr\n0.250255 0.118928 0.539781 Cl\n0.250947 0.801426 0.809421 Cl\n0.748648 0.419060 0.849472 Cl\n0.248648 0.580940 0.650528 Cl\n0.249745 0.118928 0.039781 Cl\n0.249053 0.801426 0.309421 Cl\n0.750947 0.198574 0.690579 Cl\n0.750255 0.881072 0.960219 Cl\n0.751352 0.419060 0.349472 Cl\n0.251352 0.580940 0.150528 Cl\n0.749053 0.198574 0.190579 Cl\n0.749745 0.881072 0.460219 Cl\n","nsites":18,"nelements":3,"elements":["Na","Pr","Cl"],"chemical_system":"Cl-Na-Pr","density":3.922814466299892,"density_atomic":0.041082935373696845,"volume":438.13811832745563,"volume_molar":14.658496782719297,"formula_full":"Na2 Pr4 Cl12","formula_reduced":"NaPr2Cl6","formula_anonymous":"AB2C6","energy":-88.16303238,"energy_per_atom":-4.897946243333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.79503238,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022992,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.832000Z","spacegroup":14},{"id":"mp-1177031","created_at":"2022-09-04T14:48:10.335814Z","structure_string":"Li14 Fe8 P16 O56\n1.0\n-9.888113 0.000000 0.000000\n-0.001374 -9.895222 0.000000\n0.027032 2.382467 10.892570\nLi Fe P O\n14 8 16 56\ndirect\n0.276115 0.888201 0.551472 Li\n0.590069 0.818621 0.447597 Li\n0.892656 0.914633 0.970604 Li\n0.093250 0.651153 0.045381 Li\n0.593059 0.846567 0.957541 Li\n0.393209 0.588215 0.029901 Li\n0.064145 0.650893 0.530561 Li\n0.935855 0.349107 0.469439 Li\n0.606791 0.411785 0.970099 Li\n0.406941 0.153433 0.042459 Li\n0.906750 0.348847 0.954619 Li\n0.107344 0.085367 0.029396 Li\n0.409931 0.181379 0.552403 Li\n0.723885 0.111799 0.448528 Li\n0.072870 0.800643 0.328037 Fe\n0.787380 0.746100 0.179800 Fe\n0.286023 0.750030 0.819509 Fe\n0.578541 0.699116 0.670588 Fe\n0.421459 0.300884 0.329412 Fe\n0.713977 0.249970 0.180491 Fe\n0.212620 0.253900 0.820200 Fe\n0.927130 0.199357 0.671963 Fe\n0.544111 0.977258 0.242067 P\n0.294770 0.880626 0.109386 P\n0.070435 0.939352 0.758353 P\n0.848761 0.875713 0.576478 P\n0.354827 0.621637 0.426672 P\n0.568805 0.561879 0.243385 P\n0.951789 0.475893 0.240802 P\n0.793422 0.619738 0.885861 P\n0.206578 0.380262 0.114139 P\n0.048211 0.524107 0.759198 P\n0.431195 0.438121 0.756615 P\n0.645173 0.378363 0.573328 P\n0.151239 0.124287 0.423522 P\n0.929565 0.060648 0.241647 P\n0.705230 0.119374 0.890614 P\n0.455889 0.022742 0.757933 P\n0.585816 0.977172 0.373100 O\n0.168732 0.976345 0.441628 O\n0.910855 0.915350 0.269011 O\n0.397649 0.903601 0.226071 O\n0.634145 0.892352 0.142382 O\n0.170909 0.814633 0.155502 O\n0.364808 0.778073 0.000502 O\n0.724589 0.979737 0.922025 O\n0.922610 0.884518 0.707880 O\n0.066403 0.935482 0.893069 O\n0.474110 0.870604 0.778577 O\n0.708195 0.812752 0.593636 O\n0.177067 0.835448 0.690955 O\n0.938469 0.784542 0.481444 O\n0.444283 0.717180 0.524171 O\n0.673959 0.667614 0.306764 O\n0.215834 0.687312 0.423644 O\n0.968505 0.622022 0.209676 O\n0.423518 0.624589 0.295819 O\n0.562719 0.556362 0.107222 O\n0.230286 0.518086 0.080418 O\n0.853055 0.726531 0.996633 O\n0.669558 0.683986 0.832703 O\n0.898953 0.597705 0.775152 O\n0.419974 0.584842 0.726432 O\n0.136459 0.615718 0.858788 O\n0.648314 0.529905 0.564464 O\n0.916769 0.477974 0.371757 O\n0.083231 0.522026 0.628243 O\n0.351686 0.470095 0.435536 O\n0.863541 0.384282 0.141212 O\n0.580026 0.415158 0.273568 O\n0.101047 0.402295 0.224848 O\n0.330442 0.316014 0.167297 O\n0.146945 0.273469 0.003367 O\n0.769714 0.481914 0.919582 O\n0.437281 0.443638 0.892778 O\n0.576482 0.375411 0.704181 O\n0.031495 0.377978 0.790324 O\n0.784166 0.312688 0.576356 O\n0.326041 0.332386 0.693236 O\n0.555717 0.282820 0.475829 O\n0.061531 0.215458 0.518556 O\n0.822933 0.164552 0.309045 O\n0.291805 0.187248 0.406364 O\n0.525890 0.129396 0.221423 O\n0.933597 0.064518 0.106931 O\n0.077390 0.115482 0.292120 O\n0.275411 0.020263 0.077975 O\n0.635192 0.221927 0.999498 O\n0.829091 0.185367 0.844498 O\n0.365855 0.107648 0.857618 O\n0.602351 0.096399 0.773929 O\n0.089145 0.084650 0.730989 O\n0.831268 0.023655 0.558372 O\n0.414184 0.022828 0.626900 O\n","nsites":94,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":3.0155643176651226,"density_atomic":0.0881979581751506,"volume":1065.7843100327475,"volume_molar":6.827982058315624,"formula_full":"Li14 Fe8 P16 O56","formula_reduced":"Li7Fe4(P2O7)4","formula_anonymous":"A4B7C8D28","energy":-697.58040265,"energy_per_atom":-7.421068113297872,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-641.06040265,"band_gap":1.5648999999999995,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":34.00013,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.031000Z","spacegroup":2},{"id":"mp-1212172","created_at":"2022-09-04T14:48:10.345280Z","structure_string":"Pr8 Co2\n1.0\n0.000000 5.558276 5.558276\n5.558276 0.000000 5.558276\n5.558276 5.558276 0.000000\nPr Co\n8 2\ndirect\n0.384161 0.384161 0.384161 Pr\n0.384161 0.384161 0.847517 Pr\n0.384161 0.847517 0.384161 Pr\n0.865839 0.865839 0.402483 Pr\n0.865839 0.865839 0.865839 Pr\n0.847517 0.384161 0.384161 Pr\n0.865839 0.402483 0.865839 Pr\n0.402483 0.865839 0.865839 Pr\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n","nsites":10,"nelements":2,"elements":["Pr","Co"],"chemical_system":"Co-Pr","density":6.0202237648458174,"density_atomic":0.02911720471243231,"volume":343.43956086314336,"volume_molar":20.682413780704362,"formula_full":"Pr8 Co2","formula_reduced":"Pr4Co","formula_anonymous":"AB4","energy":-49.4037391,"energy_per_atom":-4.94037391,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.4037391,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4410276,"is_theoretical":true,"updated_at":"2021-11-28T01:38:36.011000Z","spacegroup":227},{"id":"mp-1100394","created_at":"2022-09-04T14:48:10.362857Z","structure_string":"Mg1 Sc1 B1\n1.0\n0.000000 2.907011 2.907011\n2.907011 0.000000 2.907011\n2.907011 2.907011 0.000000\nMg Sc B\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 B\n","nsites":3,"nelements":3,"elements":["Mg","Sc","B"],"chemical_system":"B-Mg-Sc","density":2.706196171941525,"density_atomic":0.06105921740910953,"volume":49.132631030944474,"volume_molar":9.862787332583054,"formula_full":"Mg1 Sc1 B1","formula_reduced":"MgScB","formula_anonymous":"ABC","energy":-14.91887864,"energy_per_atom":-4.972959546666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.91887864,"band_gap":0.1575000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007324,"is_theoretical":true,"updated_at":"2021-11-28T01:38:34.297000Z","spacegroup":216},{"id":"mp-1247675","created_at":"2022-09-04T14:48:10.368372Z","structure_string":"Ca32 Mn28 Cr4 O96\n1.0\n10.814855 -0.000018 -0.001461\n-0.000026 15.138591 0.000012\n-0.001444 0.000009 10.670352\nCa Mn Cr O\n32 28 4 96\ndirect\n0.021859 0.124999 0.496038 Ca\n0.021265 0.124997 0.995521 Ca\n0.022298 0.625000 0.495481 Ca\n0.022366 0.625000 0.995904 Ca\n0.522522 0.125003 0.495859 Ca\n0.522898 0.124999 0.995200 Ca\n0.522326 0.625000 0.495694 Ca\n0.522240 0.624998 0.995594 Ca\n0.478206 0.375151 0.004153 Ca\n0.477832 0.374846 0.504573 Ca\n0.478205 0.874850 0.004157 Ca\n0.477827 0.875155 0.504581 Ca\n0.977526 0.375262 0.004132 Ca\n0.977697 0.375182 0.504573 Ca\n0.977527 0.874740 0.004130 Ca\n0.977697 0.874817 0.504568 Ca\n0.228201 0.375421 0.245964 Ca\n0.227998 0.375231 0.745313 Ca\n0.228199 0.874584 0.245967 Ca\n0.227996 0.874767 0.745314 Ca\n0.727311 0.375024 0.245673 Ca\n0.727550 0.374819 0.745504 Ca\n0.727319 0.874977 0.245671 Ca\n0.727547 0.875177 0.745499 Ca\n0.272590 0.124998 0.254896 Ca\n0.272418 0.125000 0.753775 Ca\n0.272121 0.625001 0.254200 Ca\n0.272372 0.624998 0.754469 Ca\n0.771427 0.124999 0.254620 Ca\n0.772025 0.124998 0.754278 Ca\n0.772487 0.625001 0.254337 Ca\n0.772254 0.624999 0.754366 Ca\n0.000083 0.000069 0.749699 Mn\n0.000080 0.500151 0.250127 Mn\n0.000001 0.500019 0.749982 Mn\n0.499820 0.999959 0.250277 Mn\n0.500090 0.000194 0.750211 Mn\n0.500070 0.500016 0.250067 Mn\n0.500007 0.499918 0.750015 Mn\n0.250059 0.000204 0.499654 Mn\n0.250146 0.500118 0.999823 Mn\n0.250061 0.499981 0.499934 Mn\n0.749746 0.999876 0.000090 Mn\n0.750126 0.000111 0.500227 Mn\n0.749974 0.500035 0.999980 Mn\n0.749956 0.499948 0.500073 Mn\n0.250059 0.249795 0.499654 Mn\n0.250148 0.749882 0.999823 Mn\n0.250061 0.750020 0.499934 Mn\n0.749747 0.250124 0.000092 Mn\n0.750127 0.249890 0.500227 Mn\n0.749971 0.749965 0.999982 Mn\n0.749954 0.750053 0.500074 Mn\n0.000081 0.249932 0.749702 Mn\n0.000081 0.749848 0.250129 Mn\n0.000001 0.749983 0.749981 Mn\n0.499820 0.250041 0.250275 Mn\n0.500089 0.249806 0.750213 Mn\n0.500073 0.749984 0.250068 Mn\n0.500008 0.750080 0.750015 Mn\n0.999310 0.999549 0.249383 Cr\n0.249730 0.999675 0.999924 Cr\n0.249736 0.250334 0.999895 Cr\n0.999301 0.250436 0.249373 Cr\n0.104139 0.269582 0.104017 O\n0.103880 0.270207 0.602852 O\n0.103945 0.770539 0.102991 O\n0.103902 0.770220 0.603042 O\n0.603559 0.270290 0.103019 O\n0.603877 0.270245 0.602917 O\n0.603888 0.770219 0.102997 O\n0.603934 0.770163 0.603014 O\n0.396180 0.229714 0.396966 O\n0.396542 0.230142 0.896996 O\n0.396085 0.729804 0.396954 O\n0.396203 0.729740 0.896956 O\n0.895419 0.229543 0.396257 O\n0.896424 0.229762 0.897257 O\n0.896065 0.729853 0.397031 O\n0.896120 0.729832 0.896987 O\n0.146514 0.230258 0.352917 O\n0.145325 0.229552 0.853923 O\n0.146270 0.729767 0.353097 O\n0.146035 0.729876 0.852942 O\n0.646298 0.229739 0.352807 O\n0.646408 0.229793 0.853104 O\n0.646050 0.729786 0.352942 O\n0.646143 0.729780 0.853071 O\n0.354230 0.270249 0.146411 O\n0.353719 0.270169 0.647219 O\n0.353847 0.770394 0.146894 O\n0.353877 0.770194 0.646961 O\n0.853404 0.269681 0.146787 O\n0.854084 0.270291 0.647120 O\n0.853968 0.770408 0.147100 O\n0.853953 0.770197 0.646997 O\n0.353848 0.479606 0.146893 O\n0.353875 0.479805 0.646963 O\n0.354229 0.979749 0.146410 O\n0.353721 0.979833 0.647219 O\n0.853968 0.479591 0.147099 O\n0.853952 0.479803 0.646997 O\n0.853404 0.980319 0.146789 O\n0.854082 0.979707 0.647122 O\n0.146515 0.019743 0.352916 O\n0.145319 0.020447 0.853926 O\n0.146270 0.520231 0.353098 O\n0.146036 0.520128 0.852943 O\n0.646296 0.020257 0.352808 O\n0.646406 0.020206 0.853106 O\n0.646054 0.520214 0.352939 O\n0.646143 0.520218 0.853070 O\n0.396181 0.020284 0.396965 O\n0.396543 0.019861 0.896996 O\n0.396085 0.520194 0.396955 O\n0.396203 0.520260 0.896958 O\n0.895416 0.020457 0.396254 O\n0.896419 0.020237 0.897253 O\n0.896065 0.520147 0.397032 O\n0.896122 0.520166 0.896987 O\n0.103947 0.479462 0.102991 O\n0.103900 0.479782 0.603041 O\n0.104142 0.980420 0.104018 O\n0.103878 0.979790 0.602852 O\n0.603888 0.479782 0.102998 O\n0.603934 0.479835 0.603013 O\n0.603562 0.979710 0.103021 O\n0.603880 0.979755 0.602919 O\n0.009691 0.374927 0.288673 O\n0.009714 0.374909 0.789183 O\n0.009693 0.875072 0.288672 O\n0.009714 0.875092 0.789183 O\n0.509597 0.375069 0.289142 O\n0.509482 0.375009 0.789284 O\n0.509596 0.874931 0.289144 O\n0.509482 0.874991 0.789280 O\n0.490241 0.125000 0.210760 O\n0.490204 0.125000 0.710826 O\n0.490414 0.625000 0.210900 O\n0.490442 0.624999 0.710921 O\n0.990951 0.124999 0.212092 O\n0.990313 0.125000 0.710836 O\n0.990521 0.625000 0.210933 O\n0.990438 0.624999 0.710852 O\n0.240337 0.125000 0.037539 O\n0.240280 0.125000 0.539067 O\n0.240541 0.625000 0.039081 O\n0.240430 0.625000 0.539143 O\n0.740778 0.125000 0.039459 O\n0.740224 0.125001 0.539294 O\n0.740416 0.625000 0.039093 O\n0.740453 0.625000 0.539089 O\n0.259426 0.374938 0.460742 O\n0.259586 0.374878 0.961271 O\n0.259429 0.875060 0.460745 O\n0.259592 0.875121 0.961269 O\n0.759736 0.374997 0.460804 O\n0.759662 0.375051 0.960967 O\n0.759737 0.875002 0.460808 O\n0.759661 0.874948 0.960967 O\n","nsites":160,"nelements":4,"elements":["Ca","Mn","Cr","O"],"chemical_system":"Ca-Cr-Mn-O","density":4.338856695362441,"density_atomic":0.09158726440017284,"volume":1746.9677803773125,"volume_molar":6.575303672885589,"formula_full":"Ca32 Mn28 Cr4 O96","formula_reduced":"Ca8Mn7CrO24","formula_anonymous":"AB7C8D24","energy":-1234.82417024,"energy_per_atom":-7.717651064,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1114.17217024,"band_gap":0.2883999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":92.0006289,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.736000Z","spacegroup":6},{"id":"mp-1023497","created_at":"2022-09-04T14:48:10.369994Z","structure_string":"Mg15 C1\n1.0\n3.152933 -5.461041 0.000000\n3.152933 5.461041 0.000000\n0.000000 0.000000 9.928645\nMg C\n15 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.990604 0.495302 0.500000 Mg\n0.005561 0.502781 0.000000 Mg\n0.504698 0.495302 0.500000 Mg\n0.497219 0.502781 0.000000 Mg\n0.504698 0.009396 0.500000 Mg\n0.497219 0.994439 0.000000 Mg\n0.159422 0.318843 0.268607 Mg\n0.159422 0.318843 0.731393 Mg\n0.159422 0.840578 0.268607 Mg\n0.159422 0.840578 0.731393 Mg\n0.681157 0.840578 0.268607 Mg\n0.681157 0.840578 0.731393 Mg\n0.666667 0.333333 0.247199 Mg\n0.666667 0.333333 0.752801 Mg\n0.000000 0.000000 0.500000 C\n","nsites":16,"nelements":2,"elements":["Mg","C"],"chemical_system":"C-Mg","density":1.8289539236096954,"density_atomic":0.046796117750995445,"volume":341.9087045882059,"volume_molar":12.868889663121461,"formula_full":"Mg15 C1","formula_reduced":"Mg15C","formula_anonymous":"AB15","energy":-28.79678417,"energy_per_atom":-1.799799010625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.79678417,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043494,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.955000Z","spacegroup":187},{"id":"mp-562403","created_at":"2022-09-04T14:48:10.392329Z","structure_string":"Cs4 As4 O4 F16\n1.0\n6.678792 0.000000 0.000000\n0.000000 5.329898 0.000000\n0.000000 1.490742 14.229166\nCs As O F\n4 4 4 16\ndirect\n0.122965 0.406423 0.654135 Cs\n0.377035 0.406423 0.154135 Cs\n0.622965 0.593577 0.845865 Cs\n0.877035 0.593577 0.345865 Cs\n0.107283 0.972524 0.920937 As\n0.607283 0.027476 0.579063 As\n0.892717 0.027476 0.079063 As\n0.392717 0.972524 0.420937 As\n0.085314 0.201191 0.007283 O\n0.585314 0.798809 0.492717 O\n0.414686 0.201191 0.507283 O\n0.914686 0.798809 0.992717 O\n0.686236 0.193242 0.018771 F\n0.706833 0.844168 0.146469 F\n0.293167 0.155832 0.853531 F\n0.576814 0.132240 0.342151 F\n0.076814 0.867760 0.157849 F\n0.114755 0.736771 0.839797 F\n0.385245 0.736771 0.339797 F\n0.206833 0.155832 0.353531 F\n0.186236 0.806758 0.481229 F\n0.313764 0.806758 0.981229 F\n0.885245 0.263229 0.160203 F\n0.423186 0.867760 0.657849 F\n0.923186 0.132240 0.842151 F\n0.813764 0.193242 0.518771 F\n0.614755 0.263229 0.660203 F\n0.793167 0.844168 0.646469 F\n","nsites":28,"nelements":4,"elements":["Cs","As","O","F"],"chemical_system":"As-Cs-F-O","density":3.9316379662326537,"density_atomic":0.05527920253542916,"volume":506.51960802174085,"volume_molar":10.894044204310532,"formula_full":"Cs4 As4 O4 F16","formula_reduced":"CsAsOF4","formula_anonymous":"ABCD4","energy":-145.17367004,"energy_per_atom":-5.1847739299999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-135.03367004,"band_gap":3.747100000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002138,"is_theoretical":false,"updated_at":"2021-11-28T01:38:37.629000Z","spacegroup":14},{"id":"mp-1181300","created_at":"2022-09-04T14:48:10.406098Z","structure_string":"Mg16 Si2 W18 O98\n1.0\n13.599113 0.069734 -0.010041\n-6.739164 11.812044 -0.010041\n-0.010656 -0.018456 14.382648\nMg Si W O\n16 2 18 98\ndirect\n0.407704 0.815155 0.703744 Mg\n0.184723 0.593131 0.703227 Mg\n0.408347 0.589400 0.705171 Mg\n0.815155 0.407704 0.203744 Mg\n0.593131 0.184723 0.203227 Mg\n0.589400 0.408347 0.205171 Mg\n0.464170 0.230991 0.560278 Mg\n0.768055 0.230654 0.559564 Mg\n0.769306 0.536634 0.560186 Mg\n0.230991 0.464170 0.060278 Mg\n0.230654 0.768055 0.059564 Mg\n0.536634 0.769306 0.060186 Mg\n0.996105 0.998091 0.929588 Mg\n0.998091 0.996105 0.429588 Mg\n0.666353 0.333508 0.410725 Mg\n0.333508 0.666353 0.910725 Mg\n0.665862 0.333024 0.011280 Si\n0.333024 0.665862 0.511280 Si\n0.329837 0.928453 0.505235 W\n0.071594 0.399743 0.506328 W\n0.598673 0.671104 0.507416 W\n0.928453 0.329837 0.005235 W\n0.399743 0.071594 0.006328 W\n0.671104 0.598673 0.007416 W\n0.071823 0.671652 0.504725 W\n0.329072 0.400610 0.505823 W\n0.601051 0.926313 0.507907 W\n0.671652 0.071823 0.004725 W\n0.400610 0.329072 0.005823 W\n0.926313 0.601051 0.007907 W\n0.760522 0.241349 0.811989 W\n0.762412 0.520420 0.812292 W\n0.477885 0.236041 0.812103 W\n0.241349 0.760522 0.311989 W\n0.520420 0.762412 0.312292 W\n0.236041 0.477885 0.312103 W\n0.290977 0.927862 0.015344 O\n0.072688 0.363755 0.014022 O\n0.635630 0.708755 0.014383 O\n0.927862 0.290977 0.515344 O\n0.363755 0.072688 0.514022 O\n0.708755 0.635630 0.514383 O\n0.927407 0.637092 0.513303 O\n0.365124 0.291176 0.513742 O\n0.708989 0.070485 0.516717 O\n0.637092 0.927407 0.013303 O\n0.291176 0.365124 0.013742 O\n0.070485 0.708989 0.016717 O\n0.159286 0.841356 0.519373 O\n0.159946 0.317750 0.518988 O\n0.678939 0.836205 0.519112 O\n0.841356 0.159286 0.019373 O\n0.317750 0.159946 0.018988 O\n0.836205 0.678939 0.019112 O\n0.049089 0.524349 0.471261 O\n0.474578 0.523561 0.472295 O\n0.475702 0.949667 0.472443 O\n0.524349 0.049089 0.971261 O\n0.523561 0.474578 0.972295 O\n0.949667 0.475702 0.972443 O\n0.904623 0.294480 0.867355 O\n0.700066 0.605700 0.867119 O\n0.387598 0.093828 0.867747 O\n0.294480 0.904623 0.367355 O\n0.605700 0.700066 0.367119 O\n0.093828 0.387598 0.367747 O\n0.109473 0.658340 0.623212 O\n0.342230 0.450415 0.624949 O\n0.548480 0.891502 0.626071 O\n0.658340 0.109473 0.123212 O\n0.450415 0.342230 0.124949 O\n0.891502 0.548480 0.126071 O\n0.947313 0.836926 0.911213 O\n0.164937 0.098669 0.926482 O\n0.908720 0.078579 0.934957 O\n0.836926 0.947313 0.411213 O\n0.098669 0.164937 0.426482 O\n0.078579 0.908720 0.434957 O\n0.341842 0.890716 0.624163 O\n0.108790 0.451665 0.624595 O\n0.546945 0.652845 0.626197 O\n0.890716 0.341842 0.124163 O\n0.451665 0.108790 0.124595 O\n0.652845 0.546945 0.126197 O\n0.719809 0.443126 0.301469 O\n0.556752 0.278968 0.301085 O\n0.722045 0.279017 0.301263 O\n0.443126 0.719809 0.801469 O\n0.278968 0.556752 0.801085 O\n0.279017 0.722045 0.801263 O\n0.603187 0.208606 0.800678 O\n0.792372 0.396824 0.800196 O\n0.603137 0.394587 0.798745 O\n0.208606 0.603187 0.300678 O\n0.396824 0.792372 0.300196 O\n0.394587 0.603137 0.298745 O\n0.784041 0.216798 0.694357 O\n0.785233 0.568913 0.694889 O\n0.429504 0.212691 0.694522 O\n0.216798 0.784041 0.194357 O\n0.568913 0.785233 0.194889 O\n0.212691 0.429504 0.194522 O\n0.704597 0.095948 0.866735 O\n0.904119 0.610369 0.868381 O\n0.391299 0.296810 0.866662 O\n0.095948 0.704597 0.366735 O\n0.610369 0.904119 0.368381 O\n0.296810 0.391299 0.366662 O\n0.611752 0.388179 0.523177 O\n0.612449 0.224545 0.522571 O\n0.775498 0.387755 0.522945 O\n0.388179 0.611752 0.023177 O\n0.224545 0.612449 0.022571 O\n0.387755 0.775498 0.022945 O\n0.484622 0.972431 0.775286 O\n0.029866 0.518397 0.777947 O\n0.493143 0.503320 0.776470 O\n0.972431 0.484622 0.275286 O\n0.518397 0.029866 0.277947 O\n0.503320 0.493143 0.276470 O\n0.040879 0.930165 0.039393 O\n0.070689 0.122657 0.034106 O\n0.887065 0.957368 0.044821 O\n0.930165 0.040879 0.539393 O\n0.122657 0.070689 0.534106 O\n0.957368 0.887065 0.544821 O\n0.732855 0.267264 0.970090 O\n0.731403 0.464711 0.970838 O\n0.533615 0.266581 0.970652 O\n0.267264 0.732855 0.470090 O\n0.464711 0.731403 0.470838 O\n0.266581 0.533615 0.470651 O\n0.666133 0.333390 0.124307 O\n0.333390 0.666133 0.624307 O\n","nsites":134,"nelements":4,"elements":["Mg","Si","W","O"],"chemical_system":"Mg-O-Si-W","density":3.8140893099230175,"density_atomic":0.0578312438108634,"volume":2317.086598348911,"volume_molar":10.41329973758711,"formula_full":"Mg16 Si2 W18 O98","formula_reduced":"Mg8SiW9O49","formula_anonymous":"AB8C9D49","energy":-984.65418432,"energy_per_atom":-7.348165554626866,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-837.4441843199999,"band_gap":0.1379000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":48.0688664,"is_theoretical":true,"updated_at":"2021-11-28T01:38:34.267000Z","spacegroup":9},{"id":"mp-643902","created_at":"2022-09-04T14:48:10.406464Z","structure_string":"Sn1 H4 N2 F2\n1.0\n1.651647 5.426937 0.000000\n-1.651647 5.426937 0.000000\n0.000000 1.394922 4.905936\nSn H N F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.609159 0.609159 0.566509 H\n0.390841 0.390841 0.433491 H\n0.702027 0.702027 0.777370 H\n0.297973 0.297973 0.222630 H\n0.608215 0.608215 0.767903 N\n0.391785 0.391785 0.232097 N\n0.879701 0.879701 0.752560 F\n0.120299 0.120299 0.247440 F\n","nsites":9,"nelements":4,"elements":["Sn","H","N","F"],"chemical_system":"F-H-N-Sn","density":3.563827669505965,"density_atomic":0.10233368720977734,"volume":87.94757860674551,"volume_molar":5.884807754122068,"formula_full":"Sn1 H4 N2 F2","formula_reduced":"SnH4(NF)2","formula_anonymous":"AB2C2D4","energy":-48.49106152,"energy_per_atom":-5.387895724444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.84506152,"band_gap":3.1084,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001883,"is_theoretical":false,"updated_at":"2021-11-28T01:38:25.952000Z","spacegroup":12}]}