{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=65","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=63","results":[{"id":"mp-2175","created_at":"2022-09-04T14:41:47.978852Z","structure_string":"Tl1 F1\n1.0\n0.000000 2.840732 2.840732\n2.840732 0.000000 2.840732\n2.840732 2.840732 0.000000\nTl F\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 F\n","nsites":2,"nelements":2,"elements":["Tl","F"],"chemical_system":"F-Tl","density":8.090510190687077,"density_atomic":0.0436223652227658,"volume":45.84804124642541,"volume_molar":13.805167897812984,"formula_full":"Tl1 F1","formula_reduced":"TlF","formula_anonymous":"AB","energy":-8.13601327,"energy_per_atom":-4.068006635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.67401327,"band_gap":2.2117,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.520000Z","spacegroup":225},{"id":"mp-1516609","created_at":"2022-09-04T14:41:33.249950Z","structure_string":"K1 La1 Hf1 Ti1 O6\n1.0\n0.000000 -4.030408 -4.030408\n4.030408 0.000000 -4.030408\n4.030408 -4.030408 0.000000\nK La Hf Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743935 0.256065 0.256065 O\n0.256065 0.743935 0.743935 O\n0.743935 0.256065 0.743935 O\n0.256065 0.743935 0.256065 O\n0.743935 0.743935 0.256065 O\n0.256065 0.256065 0.743935 O\n","nsites":10,"nelements":5,"elements":["K","La","Hf","Ti","O"],"chemical_system":"Hf-K-La-O-Ti","density":6.345300478762735,"density_atomic":0.07637003115356564,"volume":130.9414157484354,"volume_molar":7.885476369507587,"formula_full":"K1 La1 Hf1 Ti1 O6","formula_reduced":"KLaHfTiO6","formula_anonymous":"ABCDE6","energy":-88.64735505,"energy_per_atom":-8.864735505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.52535505,"band_gap":2.3179000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.689000Z","spacegroup":216},{"id":"mp-22006","created_at":"2022-09-04T14:41:33.405851Z","structure_string":"V2 Mo2 O10\n1.0\n4.654615 -0.000001 0.000000\n-0.000002 6.720524 -0.000002\n0.000001 0.000001 6.720523\nV Mo O\n2 2 10\ndirect\n0.829762 0.250000 0.250001 V\n0.170247 0.750000 0.750000 V\n0.500000 0.250000 0.750000 Mo\n0.500000 0.750000 0.250000 Mo\n0.722969 0.215472 0.964667 O\n0.722969 0.535333 0.215472 O\n0.722969 0.964667 0.284528 O\n0.722969 0.284528 0.535333 O\n0.180500 0.250000 0.250000 O\n0.819501 0.750000 0.750000 O\n0.277029 0.715472 0.464668 O\n0.277029 0.035332 0.715472 O\n0.277029 0.464668 0.784528 O\n0.277029 0.784528 0.035332 O\n","nsites":14,"nelements":3,"elements":["V","Mo","O"],"chemical_system":"Mo-O-V","density":3.5841193448776263,"density_atomic":0.06659445404507582,"volume":210.22771641800404,"volume_molar":9.043006428018453,"formula_full":"V2 Mo2 O10","formula_reduced":"VMoO5","formula_anonymous":"ABC5","energy":-119.40692203,"energy_per_atom":-8.529065859285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.73292203,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:25.110000Z","spacegroup":85},{"id":"mp-673023","created_at":"2022-09-04T14:41:45.043854Z","structure_string":"Li4 Bi4 P16 O48\n1.0\n9.201548 0.000000 0.000000\n0.000000 10.377450 0.000000\n0.000000 7.772261 10.307578\nLi Bi P O\n4 4 16 48\ndirect\n0.434184 0.157046 0.342326 Li\n0.934184 0.842954 0.157674 Li\n0.565816 0.842954 0.657674 Li\n0.065816 0.157046 0.842326 Li\n0.283414 0.809696 0.993820 Bi\n0.716586 0.190304 0.006180 Bi\n0.783414 0.190304 0.506180 Bi\n0.216586 0.809696 0.493820 Bi\n0.508036 0.501958 0.238232 P\n0.897679 0.891461 0.847796 P\n0.602321 0.891461 0.347796 P\n0.104236 0.695638 0.814590 P\n0.895764 0.304362 0.185410 P\n0.331395 0.198841 0.959215 P\n0.397679 0.108539 0.652204 P\n0.604236 0.304362 0.685410 P\n0.395764 0.695638 0.314590 P\n0.668605 0.801159 0.040785 P\n0.831395 0.801159 0.540785 P\n0.168605 0.198841 0.459215 P\n0.008036 0.498042 0.261768 P\n0.102321 0.108539 0.152204 P\n0.491964 0.498042 0.761768 P\n0.991964 0.501958 0.738232 P\n0.154851 0.804463 0.676394 O\n0.845149 0.195537 0.323606 O\n0.239476 0.104685 0.417747 O\n0.531444 0.861942 0.961815 O\n0.480530 0.946279 0.391540 O\n0.443049 0.670727 0.683194 O\n0.556951 0.329273 0.316806 O\n0.649222 0.617568 0.169550 O\n0.808452 0.019438 0.734151 O\n0.958604 0.468752 0.157075 O\n0.308452 0.980562 0.765849 O\n0.202997 0.652436 0.923824 O\n0.654851 0.195537 0.823606 O\n0.702997 0.347564 0.576176 O\n0.968556 0.861942 0.461815 O\n0.108184 0.553857 0.637601 O\n0.739476 0.895315 0.082253 O\n0.547732 0.763031 0.327221 O\n0.943049 0.329273 0.816806 O\n0.149222 0.382432 0.330450 O\n0.391816 0.553857 0.137601 O\n0.056951 0.670727 0.183194 O\n0.608184 0.446143 0.862399 O\n0.041396 0.531248 0.842925 O\n0.691548 0.019438 0.234151 O\n0.458604 0.531248 0.342925 O\n0.019470 0.946279 0.891540 O\n0.297003 0.652436 0.423824 O\n0.350778 0.382432 0.830450 O\n0.047732 0.236969 0.172779 O\n0.288736 0.228474 0.532632 O\n0.760524 0.895315 0.582253 O\n0.788736 0.771526 0.967368 O\n0.452268 0.236969 0.672779 O\n0.980530 0.053721 0.108460 O\n0.797003 0.347564 0.076176 O\n0.519470 0.053721 0.608460 O\n0.850778 0.617568 0.669550 O\n0.345149 0.804463 0.176394 O\n0.211264 0.228474 0.032632 O\n0.952268 0.763031 0.827221 O\n0.891816 0.446143 0.362399 O\n0.711264 0.771526 0.467368 O\n0.468556 0.138058 0.038185 O\n0.191548 0.980562 0.265849 O\n0.260524 0.104685 0.917747 O\n0.031444 0.138058 0.538185 O\n0.541396 0.468752 0.657075 O\n","nsites":72,"nelements":4,"elements":["Li","Bi","P","O"],"chemical_system":"Bi-Li-O-P","density":3.588862327570383,"density_atomic":0.07315168276698733,"volume":984.2562368571093,"volume_molar":8.232402225363073,"formula_full":"Li4 Bi4 P16 O48","formula_reduced":"LiBi(PO3)4","formula_anonymous":"ABC4D12","energy":-529.9444734599999,"energy_per_atom":-7.360339909166665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-496.96847346,"band_gap":4.6204,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.121000Z","spacegroup":14},{"id":"mp-1030826","created_at":"2022-09-04T14:41:44.997144Z","structure_string":"Sr1 Mg6 Si1 O8\n1.0\n8.884280 0.000000 -0.000000\n0.000000 4.520430 0.000000\n0.000000 0.000000 4.520430\nSr Mg Si O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.265346 0.000000 0.500000 Mg\n0.734654 -0.000000 0.500000 Mg\n0.265346 0.500000 0.000000 Mg\n0.734654 0.500000 -0.000000 Mg\n0.000000 0.000000 -0.000000 Si\n0.264660 -0.000000 -0.000000 O\n0.735340 0.000000 0.000000 O\n0.273158 0.500000 0.500000 O\n0.726842 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n","nsites":16,"nelements":4,"elements":["Sr","Mg","Si","O"],"chemical_system":"Mg-O-Si-Sr","density":3.562944475182994,"density_atomic":0.0881329380489137,"volume":181.5439307279194,"volume_molar":6.833019406045124,"formula_full":"Sr1 Mg6 Si1 O8","formula_reduced":"SrMg6SiO8","formula_anonymous":"ABC6D8","energy":-97.85663623,"energy_per_atom":-6.116039764375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.36063623,"band_gap":3.168,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.985000Z","spacegroup":123},{"id":"mp-1112309","created_at":"2022-09-04T14:41:48.604416Z","structure_string":"Cs1 K2 Sc1 Cl6\n1.0\n0.000000 5.732540 5.732540\n5.732540 0.000000 5.732540\n5.732540 5.732540 0.000000\nCs K Sc Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.782226 0.217774 0.217774 Cl\n0.217774 0.217774 0.782226 Cl\n0.217774 0.782226 0.782226 Cl\n0.217774 0.782226 0.217774 Cl\n0.782226 0.217774 0.782226 Cl\n0.782226 0.782226 0.217774 Cl\n","nsites":10,"nelements":4,"elements":["Cs","K","Sc","Cl"],"chemical_system":"Cl-Cs-K-Sc","density":2.066061076537178,"density_atomic":0.026541699199871763,"volume":376.7656292347822,"volume_molar":22.68935652781829,"formula_full":"Cs1 K2 Sc1 Cl6","formula_reduced":"CsK2ScCl6","formula_anonymous":"ABC2D6","energy":-43.73227876,"energy_per_atom":-4.373227876,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.04827876,"band_gap":4.0703,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.327000Z","spacegroup":225},{"id":"mp-758780","created_at":"2022-09-04T14:41:45.177330Z","structure_string":"Li4 Bi4 P8 O28\n1.0\n10.887923 0.000000 0.000000\n0.000000 7.461180 0.000000\n0.000000 3.767156 7.807561\nLi Bi P O\n4 4 8 28\ndirect\n0.841092 0.843618 0.591083 Li\n0.658908 0.843618 0.091083 Li\n0.341092 0.156382 0.908917 Li\n0.158908 0.156382 0.408917 Li\n0.396807 0.784648 0.730864 Bi\n0.103193 0.784648 0.230864 Bi\n0.896807 0.215352 0.769136 Bi\n0.603193 0.215352 0.269136 Bi\n0.092583 0.869047 0.778271 P\n0.407417 0.869047 0.278271 P\n0.158267 0.525582 0.715388 P\n0.658267 0.474418 0.784612 P\n0.341733 0.525582 0.215388 P\n0.841733 0.474418 0.284612 P\n0.592583 0.130953 0.721729 P\n0.907417 0.130953 0.221729 P\n0.964410 0.936364 0.699800 O\n0.197630 0.974613 0.651443 O\n0.535590 0.936364 0.199800 O\n0.394926 0.896877 0.441635 O\n0.302370 0.974613 0.151443 O\n0.105144 0.633011 0.831987 O\n0.590453 0.672966 0.720169 O\n0.105074 0.896877 0.941635 O\n0.135008 0.665558 0.529517 O\n0.296273 0.485382 0.765628 O\n0.394856 0.633011 0.331987 O\n0.909547 0.672966 0.220169 O\n0.796273 0.514618 0.734372 O\n0.364992 0.665558 0.029517 O\n0.635008 0.334442 0.970483 O\n0.203727 0.485382 0.265628 O\n0.090453 0.327034 0.779831 O\n0.605144 0.366989 0.668013 O\n0.703727 0.514618 0.234372 O\n0.864992 0.334442 0.470483 O\n0.894926 0.103123 0.058365 O\n0.409547 0.327034 0.279831 O\n0.894856 0.366989 0.168013 O\n0.697630 0.025387 0.848557 O\n0.605074 0.103123 0.558365 O\n0.464410 0.063636 0.800200 O\n0.802370 0.025387 0.348557 O\n0.035590 0.063636 0.300200 O\n","nsites":44,"nelements":4,"elements":["Li","Bi","P","O"],"chemical_system":"Bi-Li-O-P","density":4.082771601944482,"density_atomic":0.0693720825456648,"volume":634.2609070592137,"volume_molar":8.680928320172415,"formula_full":"Li4 Bi4 P8 O28","formula_reduced":"LiBiP2O7","formula_anonymous":"ABC2D7","energy":-314.66256289,"energy_per_atom":-7.1514218838636365,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.42656289,"band_gap":4.351100000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.340000Z","spacegroup":14},{"id":"mp-27307","created_at":"2022-09-04T14:41:33.527990Z","structure_string":"Na8 Zr4 F24\n1.0\n5.500837 0.000000 0.000000\n0.000000 5.656831 0.000000\n0.000000 1.702308 16.276785\nNa Zr F\n8 4 24\ndirect\n0.501761 0.326586 0.591959 Na\n0.001761 0.673414 0.908041 Na\n0.498239 0.673414 0.408041 Na\n0.998239 0.326586 0.091959 Na\n0.462396 0.243654 0.252823 Na\n0.962396 0.756346 0.247177 Na\n0.537604 0.756346 0.747177 Na\n0.037604 0.243654 0.752823 Na\n0.551737 0.175972 0.901091 Zr\n0.051737 0.824028 0.598909 Zr\n0.448263 0.824028 0.098909 Zr\n0.948263 0.175972 0.401091 Zr\n0.828603 0.869633 0.488391 F\n0.328603 0.130367 0.011609 F\n0.171397 0.130367 0.511609 F\n0.671397 0.869633 0.988391 F\n0.781675 0.430243 0.316936 F\n0.281675 0.569757 0.183064 F\n0.218325 0.569757 0.683064 F\n0.718325 0.430243 0.816936 F\n0.729256 0.602210 0.135492 F\n0.229256 0.397790 0.364508 F\n0.270744 0.397790 0.864508 F\n0.770744 0.602210 0.635492 F\n0.289553 0.019424 0.664907 F\n0.789553 0.980576 0.835093 F\n0.710447 0.980576 0.335093 F\n0.210447 0.019424 0.164907 F\n0.819263 0.058004 0.649929 F\n0.319263 0.941996 0.850071 F\n0.180737 0.941996 0.350071 F\n0.680737 0.058004 0.149929 F\n0.775444 0.345804 0.975391 F\n0.275444 0.654196 0.524609 F\n0.224556 0.654196 0.024609 F\n0.724556 0.345804 0.475391 F\n","nsites":36,"nelements":3,"elements":["Na","Zr","F"],"chemical_system":"F-Na-Zr","density":3.294182609047959,"density_atomic":0.07107745898878827,"volume":506.48968761923,"volume_molar":8.472644978698423,"formula_full":"Na8 Zr4 F24","formula_reduced":"Na2ZrF6","formula_anonymous":"AB2C6","energy":-221.40909278,"energy_per_atom":-6.150252577222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-210.32109278,"band_gap":5.9574,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.474000Z","spacegroup":14},{"id":"mp-572970","created_at":"2022-09-04T14:41:33.597927Z","structure_string":"W8 S8 Cl32\n1.0\n13.637977 0.000000 0.000000\n0.000000 9.605947 0.000000\n0.000000 4.992363 12.491081\nW S Cl\n8 8 32\ndirect\n0.913301 0.629286 0.662434 W\n0.413301 0.370714 0.837566 W\n0.360237 0.955631 0.415789 W\n0.639763 0.044369 0.584211 W\n0.086699 0.370714 0.337566 W\n0.139763 0.955631 0.915789 W\n0.586699 0.629286 0.162434 W\n0.860237 0.044369 0.084211 W\n0.539430 0.494156 0.767709 S\n0.786293 0.010779 0.228244 S\n0.039430 0.505844 0.732291 S\n0.213707 0.989221 0.771756 S\n0.460570 0.505844 0.232291 S\n0.286293 0.989221 0.271756 S\n0.713707 0.010779 0.728244 S\n0.960570 0.494156 0.267709 S\n0.048308 0.129978 0.353775 Cl\n0.058215 0.293313 0.518957 Cl\n0.555742 0.263972 0.549946 Cl\n0.951692 0.870022 0.646225 Cl\n0.944258 0.263972 0.049946 Cl\n0.308998 0.547187 0.858111 Cl\n0.441785 0.293313 0.018957 Cl\n0.507994 0.080105 0.354793 Cl\n0.558215 0.706687 0.981043 Cl\n0.818282 0.615899 0.807487 Cl\n0.749262 0.177237 0.955767 Cl\n0.318282 0.384101 0.692513 Cl\n0.191002 0.547187 0.358111 Cl\n0.683862 0.836667 0.546232 Cl\n0.681718 0.615899 0.307487 Cl\n0.444258 0.736028 0.450054 Cl\n0.250738 0.822763 0.044233 Cl\n0.249262 0.822763 0.544233 Cl\n0.816138 0.836667 0.046232 Cl\n0.451692 0.129978 0.853775 Cl\n0.055742 0.736028 0.950054 Cl\n0.992006 0.080105 0.854793 Cl\n0.691002 0.452813 0.141889 Cl\n0.492006 0.919895 0.645207 Cl\n0.548308 0.870022 0.146225 Cl\n0.750738 0.177237 0.455767 Cl\n0.183862 0.163333 0.953768 Cl\n0.316138 0.163333 0.453768 Cl\n0.181718 0.384101 0.192513 Cl\n0.941785 0.706687 0.481043 Cl\n0.007994 0.919895 0.145207 Cl\n0.808998 0.452813 0.641889 Cl\n","nsites":48,"nelements":3,"elements":["W","S","Cl"],"chemical_system":"Cl-S-W","density":2.9039457571945686,"density_atomic":0.02933263465019657,"volume":1636.4026134174187,"volume_molar":20.530514329232417,"formula_full":"W8 S8 Cl32","formula_reduced":"WSCl4","formula_anonymous":"ABC4","energy":-257.94473873,"energy_per_atom":-5.373848723541666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-234.27273873,"band_gap":2.5644,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.685000Z","spacegroup":14},{"id":"mp-1234105","created_at":"2022-09-04T14:41:45.177334Z","structure_string":"Mg1 Ag14 Pb6 O18\n1.0\n-3.081003 5.331707 6.550940\n3.100755 5.205197 -6.439138\n-6.250970 -0.082029 -6.522890\nMg Ag Pb O\n1 14 6 18\ndirect\n0.388847 0.619649 0.380639 Mg\n0.827721 0.178520 0.648369 Ag\n0.161157 0.320348 0.830146 Ag\n0.685204 0.851031 0.828528 Ag\n0.489727 0.987559 0.506962 Ag\n0.088627 0.911419 0.941231 Ag\n0.217182 0.775657 0.749147 Ag\n0.403013 0.607159 0.701449 Ag\n0.616697 0.393709 0.411520 Ag\n0.748260 0.237140 0.242515 Ag\n0.911938 0.077438 0.058735 Ag\n0.020771 0.514304 0.504660 Ag\n0.836331 0.663912 0.164016 Ag\n0.154818 0.845755 0.317899 Ag\n0.507330 0.446605 0.051478 Ag\n0.495731 0.178377 0.815746 Pb\n0.829696 0.506260 0.821773 Pb\n0.166079 0.174407 0.488858 Pb\n0.828353 0.836129 0.493116 Pb\n0.149395 0.475407 0.143743 Pb\n0.512227 0.869079 0.129113 Pb\n0.766622 0.232772 0.835096 O\n0.564761 0.442654 0.823474 O\n0.894189 0.114286 0.471846 O\n0.223292 0.138617 0.762930 O\n0.866033 0.781844 0.767433 O\n0.480772 0.907630 0.861275 O\n0.104107 0.516238 0.882627 O\n0.435030 0.190079 0.551559 O\n0.823134 0.564627 0.556163 O\n0.522663 0.138244 0.072871 O\n0.204427 0.448855 0.445443 O\n0.892179 0.480949 0.091544 O\n0.557257 0.793167 0.465734 O\n0.118451 0.215222 0.225940 O\n0.783368 0.852808 0.228559 O\n0.424566 0.526057 0.217399 O\n0.099016 0.904781 0.507317 O\n0.239025 0.743313 0.179134 O\n","nsites":39,"nelements":4,"elements":["Mg","Ag","Pb","O"],"chemical_system":"Ag-Mg-O-Pb","density":7.952048192006729,"density_atomic":0.060921709850200456,"volume":640.1658800433631,"volume_molar":9.88504881889848,"formula_full":"Mg1 Ag14 Pb6 O18","formula_reduced":"MgAg14(PbO3)6","formula_anonymous":"AB6C14D18","energy":-185.55479054000003,"energy_per_atom":-4.757815142051283,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.18879054,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.792000Z","spacegroup":1},{"id":"mp-1233765","created_at":"2022-09-04T14:44:58.489049Z","structure_string":"Mg1 H20 Br4 N4 O4\n1.0\n6.414705 -0.491417 -3.061200\n-0.417055 7.557357 0.297029\n-0.048960 0.331441 8.565212\nMg H Br N O\n1 20 4 4 4\ndirect\n0.559598 0.059964 0.532101 Mg\n0.217758 0.129282 0.551081 H\n0.678389 0.399412 0.060044 H\n0.724584 0.847037 0.402229 H\n0.316404 0.607803 0.948921 H\n0.176183 0.925572 0.465787 H\n0.668321 0.621596 0.990103 H\n0.908379 0.000579 0.522824 H\n0.328741 0.383707 0.017397 H\n0.291690 0.950574 0.679236 H\n0.637007 0.556598 0.179431 H\n0.747221 0.052304 0.322263 H\n0.348068 0.451985 0.820960 H\n0.276996 0.890944 0.012681 H\n0.676873 0.527214 0.446155 H\n0.744344 0.111578 0.007389 H\n0.260697 0.480220 0.541367 H\n0.070023 0.797697 0.879301 H\n0.462048 0.606764 0.330318 H\n0.939690 0.224129 0.136817 H\n0.476139 0.401477 0.655157 H\n0.135188 0.632986 0.300687 Br\n0.728616 0.851032 0.823216 Br\n0.793629 0.346401 0.680610 Br\n0.301521 0.155210 0.194347 Br\n0.382881 0.487983 0.952964 N\n0.756134 0.980734 0.431814 N\n0.609332 0.518420 0.051730 N\n0.277017 0.010160 0.563354 N\n0.223506 0.808935 0.914790 O\n0.609659 0.608201 0.345137 O\n0.786533 0.200295 0.098440 O\n0.331832 0.400984 0.645255 O\n","nsites":33,"nelements":5,"elements":["Mg","H","Br","N","O"],"chemical_system":"Br-H-Mg-N-O","density":1.9505022866071309,"density_atomic":0.08007048436708564,"volume":412.13688490643403,"volume_molar":7.521049494831712,"formula_full":"Mg1 H20 Br4 N4 O4","formula_reduced":"MgH20Br4(NO)4","formula_anonymous":"AB4C4D4E20","energy":-159.08825343,"energy_per_atom":-4.820856164545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.76025343,"band_gap":3.91,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.894000Z","spacegroup":1},{"id":"mp-7617","created_at":"2022-09-04T14:44:57.586172Z","structure_string":"Rb3 Y1 F6\n1.0\n-3.587119 3.587119 4.823099\n3.587119 -3.587119 4.823099\n3.587119 3.587119 -4.823099\nRb Y F\n3 1 6\ndirect\n0.250000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Y\n0.000000 0.696131 0.696131 F\n0.696131 0.000000 0.696131 F\n0.303869 0.000000 0.303869 F\n0.000000 0.303869 0.303869 F\n0.230378 0.230378 0.000000 F\n0.769622 0.769622 0.000000 F\n","nsites":10,"nelements":3,"elements":["Rb","Y","F"],"chemical_system":"F-Rb-Y","density":3.0723273975285386,"density_atomic":0.04028304241399012,"volume":248.24341461674317,"volume_molar":14.949567855650688,"formula_full":"Rb3 Y1 F6","formula_reduced":"Rb3YF6","formula_anonymous":"AB3C6","energy":-55.75177447,"energy_per_atom":-5.575177447,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.97977447,"band_gap":5.0549,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.332000Z","spacegroup":139}]}