{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=30","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=28","results":[{"id":"mp-1337034","created_at":"2022-09-04T14:40:02.679856Z","structure_string":"Sm2 H16 N6 O30\n1.0\n6.806110 0.000000 0.000000\n-3.079446 8.272044 0.000000\n-0.233747 -4.749634 11.050269\nSm H N O\n2 16 6 30\ndirect\n0.205062 0.322805 0.275930 Sm\n0.794938 0.677195 0.724070 Sm\n0.550996 0.881499 0.484737 H\n0.449004 0.118501 0.515263 H\n0.784737 0.012703 0.503565 H\n0.215263 0.987297 0.496435 H\n0.357823 0.044816 0.271748 H\n0.642177 0.955184 0.728252 H\n0.335829 0.162921 0.131010 H\n0.664171 0.837079 0.868990 H\n0.704933 0.492653 0.349891 H\n0.295067 0.507347 0.650109 H\n0.638972 0.365145 0.272363 H\n0.361028 0.634855 0.727637 H\n0.575330 0.413005 0.935904 H\n0.424670 0.586995 0.064096 H\n0.786358 0.511991 0.007297 H\n0.213642 0.488009 0.992703 H\n0.069890 0.649921 0.173484 N\n0.930110 0.350079 0.826516 N\n0.091069 0.332662 0.499519 N\n0.908931 0.667338 0.500481 N\n0.821880 0.080822 0.184963 N\n0.178120 0.919178 0.815037 N\n0.253577 0.649363 0.233924 O\n0.746423 0.350637 0.766076 O\n0.942851 0.506045 0.162322 O\n0.057149 0.493955 0.837678 O\n0.012476 0.783139 0.125661 O\n0.987524 0.216861 0.874339 O\n0.956768 0.254332 0.426521 O\n0.043232 0.745668 0.573479 O\n0.278539 0.405118 0.476814 O\n0.721461 0.594882 0.523186 O\n0.038100 0.338054 0.589180 O\n0.961900 0.661946 0.410820 O\n0.906799 0.045835 0.297493 O\n0.093201 0.954165 0.702507 O\n0.918043 0.222909 0.115568 O\n0.081957 0.777091 0.884432 O\n0.658058 0.986115 0.146526 O\n0.341942 0.013885 0.853474 O\n0.311744 0.093011 0.454831 O\n0.688256 0.906989 0.545169 O\n0.365811 0.164106 0.216279 O\n0.634189 0.835894 0.783721 O\n0.585120 0.426918 0.304812 O\n0.414880 0.573082 0.695188 O\n0.301777 0.483526 0.073180 O\n0.698223 0.516474 0.926820 O\n0.358889 0.877366 0.384804 O\n0.641111 0.122634 0.615196 O\n0.345441 0.240887 0.977942 O\n0.654559 0.759113 0.022058 O\n","nsites":54,"nelements":4,"elements":["Sm","H","N","O"],"chemical_system":"H-N-O-Sm","density":2.3511259348414213,"density_atomic":0.086797878396311,"volume":622.1350221654156,"volume_molar":6.938119768899728,"formula_full":"Sm2 H16 N6 O30","formula_reduced":"SmH8(NO5)3","formula_anonymous":"AB3C8D15","energy":-272.57668449,"energy_per_atom":-5.047716379444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-251.96668449000003,"band_gap":0.3543,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.469000Z","spacegroup":2},{"id":"mp-995393","created_at":"2022-09-04T14:40:02.733335Z","structure_string":"Li2 S8\n1.0\n12.210871 0.000000 0.000000\n0.390307 12.842929 0.000000\n0.514386 1.313073 12.852301\nLi S\n2 8\ndirect\n0.648160 0.318061 0.530700 Li\n0.519788 0.481913 0.465939 Li\n0.465987 0.296680 0.489061 S\n0.425606 0.358886 0.627553 S\n0.292396 0.458894 0.603342 S\n0.340886 0.588990 0.503861 S\n0.419493 0.689643 0.592853 S\n0.583727 0.698744 0.544551 S\n0.675482 0.573155 0.607734 S\n0.715077 0.485033 0.484408 S\n","nsites":10,"nelements":2,"elements":["Li","S"],"chemical_system":"Li-S","density":0.22277547787999633,"density_atomic":0.004961447349254914,"volume":2015.540888789589,"volume_molar":121.37870939826412,"formula_full":"Li2 S8","formula_reduced":"LiS4","formula_anonymous":"AB4","energy":-43.19150536000001,"energy_per_atom":-4.319150536,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.16750536,"band_gap":2.1585,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.059000Z","spacegroup":1},{"id":"mp-1218892","created_at":"2022-09-04T14:40:03.073227Z","structure_string":"Sn1 Te1 Pb1 Se1\n1.0\n7.420560 -2.236931 0.000000\n7.420560 2.236931 0.000000\n6.746236 0.000000 3.815346\nSn Te Pb Se\n1 1 1 1\ndirect\n0.495274 0.495274 0.495274 Sn\n0.247494 0.247494 0.247494 Te\n0.005256 0.005256 0.005256 Pb\n0.751976 0.751976 0.751976 Se\n","nsites":4,"nelements":4,"elements":["Sn","Te","Pb","Se"],"chemical_system":"Pb-Se-Sn-Te","density":6.980572598268687,"density_atomic":0.03157961258790196,"volume":126.66399845362213,"volume_molar":19.06971069780337,"formula_full":"Sn1 Te1 Pb1 Se1","formula_reduced":"SnTePbSe","formula_anonymous":"ABCD","energy":-16.896242899999997,"energy_per_atom":-4.224060724999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.0022429,"band_gap":0.2205000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000118,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.407000Z","spacegroup":160},{"id":"mp-1179639","created_at":"2022-09-04T14:40:03.122087Z","structure_string":"S4\n1.0\n6.218004 -0.179953 0.000614\n-0.182999 6.262033 0.008871\n0.003813 0.010026 3.060894\nS\n4\ndirect\n0.347719 0.000985 0.750256 S\n0.652354 0.998876 0.749656 S\n0.005892 0.652013 0.248944 S\n0.994036 0.348126 0.251143 S\n","nsites":4,"nelements":1,"elements":["S"],"chemical_system":"S","density":1.7885259679916965,"density_atomic":0.03359037934159799,"volume":119.08171561035157,"volume_molar":17.928171333695662,"formula_full":"S4","formula_reduced":"S","formula_anonymous":"A","energy":-15.12564205,"energy_per_atom":-3.7814105125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.12564205,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5543985,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.737000Z","spacegroup":66},{"id":"mp-1522802","created_at":"2022-09-04T14:40:03.133240Z","structure_string":"Ca1 Sm1 Mn4 O12\n1.0\n5.327098 0.000000 0.000000\n0.000000 5.327098 0.000000\n-0.000000 0.000000 7.564375\nCa Sm Mn O\n1 1 4 12\ndirect\n0.500000 0.500000 0.000000 Ca\n-0.000000 0.000000 0.500000 Sm\n0.000000 0.500000 0.753103 Mn\n-0.000000 0.500000 0.246897 Mn\n0.500000 -0.000000 0.753103 Mn\n0.500000 0.000000 0.246897 Mn\n0.243948 0.243948 0.739246 O\n0.243948 0.243948 0.260754 O\n0.756052 0.756052 0.739246 O\n0.756052 0.756052 0.260754 O\n0.756052 0.243948 0.739246 O\n0.756052 0.243948 0.260754 O\n0.243948 0.756052 0.739246 O\n0.243948 0.756052 0.260754 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n","nsites":18,"nelements":4,"elements":["Ca","Sm","Mn","O"],"chemical_system":"Ca-Mn-O-Sm","density":4.658253839893131,"density_atomic":0.08385289898564456,"volume":214.6616302804458,"volume_molar":7.181791962888461,"formula_full":"Ca1 Sm1 Mn4 O12","formula_reduced":"CaSmMn4O12","formula_anonymous":"ABC4D12","energy":-136.94383228,"energy_per_atom":-7.607990682222223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.02783228,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.0320037,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.201000Z","spacegroup":123},{"id":"mp-540634","created_at":"2022-09-04T14:40:03.160489Z","structure_string":"Ta2 Tl2 Ge6 O18\n1.0\n3.566816 -6.177907 0.000000\n3.566816 6.177907 0.000000\n0.000000 0.000000 10.286018\nTa Tl Ge O\n2 2 6 18\ndirect\n0.333333 0.666667 0.000000 Ta\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.000000 Tl\n0.666667 0.333333 0.500000 Tl\n0.073885 0.288374 0.250000 Ge\n0.214489 0.926115 0.250000 Ge\n0.711626 0.785511 0.250000 Ge\n0.711626 0.926115 0.750000 Ge\n0.214489 0.288374 0.750000 Ge\n0.073885 0.785511 0.750000 Ge\n0.264459 0.196724 0.250000 O\n0.932264 0.735541 0.250000 O\n0.803276 0.067736 0.250000 O\n0.803276 0.735541 0.750000 O\n0.932264 0.196724 0.750000 O\n0.264459 0.067736 0.750000 O\n0.100727 0.439602 0.110106 O\n0.338875 0.899273 0.389894 O\n0.560398 0.661125 0.389894 O\n0.560398 0.661125 0.110106 O\n0.338875 0.899273 0.110106 O\n0.560398 0.899273 0.889894 O\n0.338875 0.439602 0.889894 O\n0.100727 0.661125 0.889894 O\n0.338875 0.439602 0.610106 O\n0.100727 0.661125 0.610106 O\n0.100727 0.439602 0.389894 O\n0.560398 0.899273 0.610106 O\n","nsites":28,"nelements":4,"elements":["Ta","Tl","Ge","O"],"chemical_system":"Ge-O-Ta-Tl","density":5.474484319184556,"density_atomic":0.061767309328811915,"volume":453.31422566822334,"volume_molar":9.749721698158735,"formula_full":"Ta2 Tl2 Ge6 O18","formula_reduced":"TaTl(GeO3)3","formula_anonymous":"ABC3D9","energy":-210.69350142,"energy_per_atom":-7.524767907857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.32750142,"band_gap":3.6578,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020538,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.801000Z","spacegroup":188},{"id":"mp-772190","created_at":"2022-09-04T14:40:03.174540Z","structure_string":"Li24 Ti8 O28\n1.0\n8.982560 0.000000 0.000000\n0.000000 5.104690 0.000000\n0.000000 0.098909 15.689284\nLi Ti O\n24 8 28\ndirect\n0.526726 0.253297 0.048077 Li\n0.574118 0.241480 0.798468 Li\n0.751046 0.262171 0.946683 Li\n0.802191 0.227618 0.676757 Li\n0.565673 0.171444 0.574444 Li\n0.577543 0.143201 0.320686 Li\n0.733244 0.188276 0.439250 Li\n0.267242 0.167315 0.915982 Li\n0.009812 0.252262 0.320671 Li\n0.770319 0.188599 0.193573 Li\n0.014387 0.235895 0.843503 Li\n0.318482 0.192757 0.423804 Li\n0.818482 0.807243 0.576196 Li\n0.514387 0.764105 0.156497 Li\n0.270319 0.811401 0.806427 Li\n0.509812 0.747738 0.679329 Li\n0.767242 0.832685 0.084018 Li\n0.233244 0.811724 0.560750 Li\n0.077543 0.856799 0.679314 Li\n0.065673 0.828556 0.425556 Li\n0.302191 0.772382 0.323243 Li\n0.251046 0.737829 0.053317 Li\n0.074118 0.758520 0.201532 Li\n0.026726 0.746703 0.951923 Li\n0.285746 0.294562 0.696919 Ti\n0.022536 0.315689 0.534327 Ti\n0.015299 0.259605 0.060900 Ti\n0.288842 0.279985 0.199593 Ti\n0.788842 0.720015 0.800407 Ti\n0.515299 0.740395 0.939100 Ti\n0.522536 0.684311 0.465673 Ti\n0.785746 0.705438 0.303081 Ti\n0.399413 0.053275 0.263930 O\n0.064964 0.123349 0.958955 O\n0.211599 0.179622 0.797197 O\n0.831453 0.198365 0.551966 O\n0.468733 0.157618 0.687038 O\n0.160109 0.156929 0.611005 O\n0.137160 0.085303 0.144224 O\n0.815706 0.209404 0.073557 O\n0.094623 0.218434 0.432911 O\n0.545901 0.390605 0.931369 O\n0.523007 0.327463 0.456269 O\n0.782280 0.344278 0.307419 O\n0.396792 0.462093 0.120699 O\n0.195322 0.503850 0.268448 O\n0.695322 0.496150 0.731552 O\n0.896792 0.537907 0.879301 O\n0.282280 0.655722 0.692581 O\n0.023007 0.672537 0.543731 O\n0.045901 0.609395 0.068631 O\n0.594623 0.781566 0.567089 O\n0.315706 0.790596 0.926443 O\n0.637160 0.914697 0.855776 O\n0.660109 0.843071 0.388995 O\n0.968733 0.842382 0.312962 O\n0.331453 0.801635 0.448034 O\n0.711599 0.820378 0.202803 O\n0.564964 0.876651 0.041045 O\n0.899413 0.946725 0.736070 O\n","nsites":60,"nelements":3,"elements":["Li","Ti","O"],"chemical_system":"Li-O-Ti","density":2.302452983490755,"density_atomic":0.08340241493754588,"volume":719.4036293185242,"volume_molar":7.220583198351692,"formula_full":"Li24 Ti8 O28","formula_reduced":"Li6Ti2O7","formula_anonymous":"A2B6C7","energy":-412.39221317,"energy_per_atom":-6.873203552833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-393.15621317,"band_gap":3.9246,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0457903,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.014000Z","spacegroup":4},{"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-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-504603","created_at":"2022-09-04T14:40:02.692713Z","structure_string":"Cs2 Tl1 Fe1 F6\n1.0\n0.000000 4.692567 4.692567\n4.692567 0.000000 4.692567\n4.692567 4.692567 0.000000\nCs Tl Fe F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Fe\n0.210320 0.789680 0.210320 F\n0.210320 0.789680 0.789680 F\n0.789680 0.210320 0.210320 F\n0.789680 0.789680 0.210320 F\n0.210320 0.210320 0.789680 F\n0.789680 0.210320 0.789680 F\n","nsites":10,"nelements":4,"elements":["Cs","Tl","Fe","F"],"chemical_system":"Cs-F-Fe-Tl","density":5.142659030379203,"density_atomic":0.048388098705755035,"volume":206.66238739425094,"volume_molar":12.445499866858288,"formula_full":"Cs2 Tl1 Fe1 F6","formula_reduced":"Cs2TlFeF6","formula_anonymous":"ABC2D6","energy":-51.38566924,"energy_per_atom":-5.138566924,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.35766924000001,"band_gap":2.9057,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9999031,"is_theoretical":false,"updated_at":"2021-11-28T01:34:46.168000Z","spacegroup":225},{"id":"mp-757850","created_at":"2022-09-04T14:40:02.693682Z","structure_string":"K16 Sb8 O20\n1.0\n6.450302 0.000000 0.000000\n0.000000 7.974899 0.000000\n0.000000 0.000000 18.361487\nK Sb O\n16 8 20\ndirect\n0.250000 0.624906 0.847758 K\n0.750000 0.625077 0.986740 K\n0.750000 0.625077 0.651899 K\n0.250000 0.624924 0.512067 K\n0.250000 0.875076 0.012067 K\n0.750000 0.874923 0.151899 K\n0.250000 0.875094 0.347758 K\n0.750000 0.874923 0.486740 K\n0.250000 0.125077 0.848101 K\n0.750000 0.124924 0.987933 K\n0.750000 0.124906 0.652242 K\n0.250000 0.125077 0.513260 K\n0.250000 0.374923 0.348101 K\n0.750000 0.375076 0.487933 K\n0.750000 0.375094 0.152242 K\n0.250000 0.374923 0.013260 K\n0.250000 0.621850 0.167511 Sb\n0.750000 0.628159 0.332476 Sb\n0.750000 0.871841 0.832476 Sb\n0.250000 0.878150 0.667511 Sb\n0.250000 0.128159 0.167524 Sb\n0.750000 0.121850 0.332489 Sb\n0.250000 0.371841 0.667524 Sb\n0.750000 0.378150 0.832489 Sb\n0.750000 0.625031 0.802660 O\n0.478007 0.625919 0.098347 O\n0.522012 0.624097 0.401651 O\n0.021993 0.625919 0.098347 O\n0.977988 0.624097 0.401651 O\n0.750000 0.874969 0.302660 O\n0.021993 0.874081 0.598347 O\n0.478007 0.874081 0.598347 O\n0.977988 0.875903 0.901651 O\n0.522012 0.875903 0.901651 O\n0.521993 0.125919 0.401653 O\n0.022012 0.124097 0.098349 O\n0.477988 0.124097 0.098349 O\n0.978007 0.125919 0.401653 O\n0.250000 0.125031 0.697340 O\n0.022012 0.375903 0.598349 O\n0.477988 0.375903 0.598349 O\n0.521993 0.374081 0.901653 O\n0.978007 0.374081 0.901653 O\n0.250000 0.374969 0.197340 O\n","nsites":44,"nelements":3,"elements":["K","Sb","O"],"chemical_system":"K-O-Sb","density":3.374861694660701,"density_atomic":0.04658430138718165,"volume":944.5241999938469,"volume_molar":12.927403826339402,"formula_full":"K16 Sb8 O20","formula_reduced":"K4Sb2O5","formula_anonymous":"A2B4C5","energy":-231.6582599,"energy_per_atom":-5.264960452272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-217.9182599,"band_gap":2.3454999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.92e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.938000Z","spacegroup":62},{"id":"mp-1203881","created_at":"2022-09-04T14:40:00.808940Z","structure_string":"Na2 Tc4 N10 O2 F24\n1.0\n6.252505 0.000000 0.000000\n0.000000 7.481435 0.000000\n0.000000 0.000000 15.475429\nNa Tc N O F\n2 4 10 2 24\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.655759 0.593626 Tc\n0.500000 0.344241 0.406374 Tc\n0.500000 0.155759 0.906374 Tc\n0.500000 0.844241 0.093626 Tc\n0.500000 0.162495 0.637254 N\n0.500000 0.837505 0.362746 N\n0.500000 0.662495 0.862746 N\n0.500000 0.337505 0.137254 N\n0.000000 0.399072 0.787808 N\n0.000000 0.600928 0.212192 N\n0.000000 0.899072 0.712192 N\n0.000000 0.100928 0.287808 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.285688 0.524629 0.649398 F\n0.285688 0.475371 0.350602 F\n0.714312 0.024629 0.850602 F\n0.714312 0.975371 0.149398 F\n0.714312 0.475371 0.350602 F\n0.714312 0.524629 0.649398 F\n0.285688 0.975371 0.149398 F\n0.285688 0.024629 0.850602 F\n0.500000 0.813624 0.687857 F\n0.500000 0.186376 0.312143 F\n0.500000 0.313624 0.812143 F\n0.500000 0.686376 0.187857 F\n0.715815 0.805288 0.541693 F\n0.715815 0.194712 0.458307 F\n0.284185 0.305288 0.958307 F\n0.284185 0.694712 0.041693 F\n0.284185 0.194712 0.458307 F\n0.284185 0.805288 0.541693 F\n0.715815 0.694712 0.041693 F\n0.715815 0.305288 0.958307 F\n0.000000 0.058576 0.671352 F\n0.000000 0.941424 0.328648 F\n0.000000 0.558576 0.828648 F\n0.000000 0.441424 0.171352 F\n","nsites":42,"nelements":5,"elements":["Na","Tc","N","O","F"],"chemical_system":"F-N-Na-O-Tc","density":2.445273877547658,"density_atomic":0.058018652576434813,"volume":723.9051259363262,"volume_molar":10.379663250652579,"formula_full":"Na2 Tc4 N10 O2 F24","formula_reduced":"NaTc2N5OF12","formula_anonymous":"ABC2D5E12","energy":-213.32360756000003,"energy_per_atom":-5.079133513333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.86160756,"band_gap":0.1247,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.691000Z","spacegroup":55}]}