{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=10176","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=10174","results":[{"id":"mp-26734","created_at":"2022-09-04T14:40:26.581103Z","structure_string":"Mn2 P4 O14\n1.0\n-4.976051 0.000000 0.000000\n-0.184831 6.622256 0.000000\n-0.230304 2.979819 -7.586592\nMn P O\n2 4 14\ndirect\n0.759054 0.787952 0.267253 Mn\n0.240946 0.212048 0.732747 Mn\n0.276861 0.456226 0.314380 P\n0.723139 0.543774 0.685620 P\n0.243647 0.103726 0.164990 P\n0.756353 0.896274 0.835010 P\n0.567209 0.525114 0.319528 O\n0.950734 0.048752 0.226016 O\n0.049266 0.951249 0.773984 O\n0.085303 0.649601 0.233919 O\n0.176295 0.287778 0.488804 O\n0.286133 0.338450 0.173514 O\n0.303367 0.136230 0.973819 O\n0.432791 0.474886 0.680472 O\n0.823705 0.712222 0.511196 O\n0.556929 0.056499 0.708977 O\n0.443071 0.943501 0.291023 O\n0.696633 0.863770 0.026181 O\n0.713867 0.661550 0.826486 O\n0.914697 0.350399 0.766081 O\n","nsites":20,"nelements":3,"elements":["Mn","P","O"],"chemical_system":"Mn-O-P","density":3.040549082842386,"density_atomic":0.08000045897529347,"volume":249.9985657104367,"volume_molar":7.527632762531797,"formula_full":"Mn2 P4 O14","formula_reduced":"MnP2O7","formula_anonymous":"AB2C7","energy":-156.76703176,"energy_per_atom":-7.838351588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.81303176,"band_gap":1.2424,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0012198,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.132000Z","spacegroup":2},{"id":"mp-1174401","created_at":"2022-09-04T14:40:26.576088Z","structure_string":"Li7 Co5 O12\n1.0\n1.448634 7.442517 0.000000\n-1.448634 7.442517 0.000000\n0.000000 1.908812 9.631813\nLi Co O\n7 5 12\ndirect\n0.917736 0.917736 0.753014 Li\n0.082264 0.082264 0.246986 Li\n0.249912 0.249912 0.750320 Li\n0.578994 0.578994 0.760376 Li\n0.750088 0.750088 0.249680 Li\n0.421006 0.421006 0.239624 Li\n0.000000 0.000000 0.000000 Li\n0.336900 0.336900 0.995893 Co\n0.663100 0.663100 0.004107 Co\n0.500000 0.500000 0.500000 Co\n0.834121 0.834121 0.497718 Co\n0.165879 0.165879 0.502282 Co\n0.790650 0.790650 0.894881 O\n0.955842 0.955842 0.380996 O\n0.133533 0.133533 0.893067 O\n0.446569 0.446569 0.883391 O\n0.620222 0.620222 0.387739 O\n0.287080 0.287080 0.380271 O\n0.044158 0.044158 0.619004 O\n0.209350 0.209350 0.105119 O\n0.379778 0.379778 0.612261 O\n0.712920 0.712920 0.619729 O\n0.866467 0.866467 0.106933 O\n0.553431 0.553431 0.116609 O\n","nsites":24,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.279428730434392,"density_atomic":0.11555658383352592,"volume":207.69045954642513,"volume_molar":5.21142159124024,"formula_full":"Li7 Co5 O12","formula_reduced":"Li7Co5O12","formula_anonymous":"A5B7C12","energy":-148.98712594,"energy_per_atom":-6.207796914166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.55312594,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000032,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.483000Z","spacegroup":12},{"id":"mp-849286","created_at":"2022-09-04T14:40:26.575151Z","structure_string":"Ba12 Ga24 S48\n1.0\n12.840233 0.000000 0.000000\n0.000000 12.840233 0.000000\n0.000000 0.000000 12.840233\nBa Ga S\n12 24 48\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.128094 0.871906 0.371906 Ba\n0.128094 0.628094 0.871906 Ba\n0.371906 0.371906 0.371906 Ba\n0.371906 0.128094 0.871906 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.628094 0.871906 0.128094 Ba\n0.628094 0.628094 0.628094 Ba\n0.871906 0.128094 0.628094 Ba\n0.871906 0.371906 0.128094 Ba\n0.126737 0.195729 0.356921 Ga\n0.126737 0.304271 0.856921 Ga\n0.143079 0.626737 0.195729 Ga\n0.143079 0.873263 0.695729 Ga\n0.195729 0.143079 0.626737 Ga\n0.195729 0.356921 0.126737 Ga\n0.304271 0.856921 0.126737 Ga\n0.304271 0.643079 0.626737 Ga\n0.356921 0.126737 0.195729 Ga\n0.356921 0.373263 0.695729 Ga\n0.373263 0.695729 0.356921 Ga\n0.373263 0.804271 0.856921 Ga\n0.626737 0.195729 0.143079 Ga\n0.626737 0.304271 0.643079 Ga\n0.643079 0.626737 0.304271 Ga\n0.643079 0.873263 0.804271 Ga\n0.695729 0.143079 0.873263 Ga\n0.695729 0.356921 0.373263 Ga\n0.804271 0.643079 0.873263 Ga\n0.804271 0.856921 0.373263 Ga\n0.856921 0.126737 0.304271 Ga\n0.856921 0.373263 0.804271 Ga\n0.873263 0.695729 0.143079 Ga\n0.873263 0.804271 0.643079 Ga\n0.026572 0.076798 0.270535 S\n0.026572 0.423202 0.770535 S\n0.076798 0.270535 0.026572 S\n0.076798 0.229465 0.526572 S\n0.127850 0.362316 0.293251 S\n0.127850 0.137684 0.793251 S\n0.137684 0.793251 0.127850 S\n0.137684 0.706749 0.627850 S\n0.206749 0.627850 0.362316 S\n0.206749 0.872150 0.862316 S\n0.229465 0.526572 0.076798 S\n0.229465 0.973428 0.576798 S\n0.270535 0.026572 0.076798 S\n0.270535 0.473428 0.576798 S\n0.293251 0.127850 0.362316 S\n0.293251 0.372150 0.862316 S\n0.362316 0.293251 0.127850 S\n0.362316 0.206749 0.627850 S\n0.372150 0.862316 0.293251 S\n0.372150 0.637684 0.793251 S\n0.423202 0.729465 0.526572 S\n0.423202 0.770535 0.026572 S\n0.473428 0.576798 0.270535 S\n0.473428 0.923202 0.770535 S\n0.526572 0.076798 0.229465 S\n0.526572 0.423202 0.729465 S\n0.576798 0.270535 0.473428 S\n0.576798 0.229465 0.973428 S\n0.627850 0.362316 0.206749 S\n0.627850 0.137684 0.706749 S\n0.637684 0.706749 0.872150 S\n0.637684 0.793251 0.372150 S\n0.706749 0.627850 0.137684 S\n0.706749 0.872150 0.637684 S\n0.729465 0.526572 0.423202 S\n0.729465 0.973428 0.923202 S\n0.770535 0.026572 0.423202 S\n0.770535 0.473428 0.923202 S\n0.793251 0.127850 0.137684 S\n0.793251 0.372150 0.637684 S\n0.862316 0.206749 0.872150 S\n0.862316 0.293251 0.372150 S\n0.872150 0.637684 0.706749 S\n0.872150 0.862316 0.206749 S\n0.923202 0.729465 0.973428 S\n0.923202 0.770535 0.473428 S\n0.973428 0.576798 0.229465 S\n0.973428 0.923202 0.729465 S\n","nsites":84,"nelements":3,"elements":["Ba","Ga","S"],"chemical_system":"Ba-Ga-S","density":3.8124314066776956,"density_atomic":0.03967898665973987,"volume":2116.989547145625,"volume_molar":15.177153619475725,"formula_full":"Ba12 Ga24 S48","formula_reduced":"Ba(GaS2)2","formula_anonymous":"AB2C4","energy":-417.07682433,"energy_per_atom":-4.9652002896428575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-392.93282433,"band_gap":2.9073,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004705,"is_theoretical":false,"updated_at":"2021-11-28T01:35:02.074000Z","spacegroup":205},{"id":"mp-1207831","created_at":"2022-09-04T14:40:26.572822Z","structure_string":"Tm4 Sb4 O16\n1.0\n5.340409 -0.240068 0.053241\n0.125714 7.530768 1.208147\n-0.198226 -0.031934 7.522275\nTm Sb O\n4 4 16\ndirect\n0.258833 0.142677 0.625449 Tm\n0.741167 0.857323 0.374551 Tm\n0.217597 0.156169 0.114182 Tm\n0.782403 0.843831 0.885818 Tm\n0.238577 0.660373 0.192524 Sb\n0.761423 0.339627 0.807476 Sb\n0.733324 0.331804 0.308872 Sb\n0.266676 0.668196 0.691128 Sb\n0.087167 0.433983 0.688050 O\n0.912833 0.566017 0.311950 O\n0.609413 0.317582 0.560997 O\n0.390587 0.682418 0.439003 O\n0.883449 0.333914 0.061798 O\n0.116551 0.666086 0.938202 O\n0.401201 0.425635 0.199972 O\n0.598799 0.574365 0.800028 O\n0.043090 0.887237 0.170899 O\n0.956910 0.112763 0.829101 O\n0.534894 0.104294 0.307240 O\n0.465106 0.895706 0.692760 O\n0.460395 0.198498 0.883576 O\n0.539605 0.801502 0.116424 O\n0.017305 0.175955 0.383281 O\n0.982695 0.824045 0.616719 O\n","nsites":24,"nelements":3,"elements":["Tm","Sb","O"],"chemical_system":"O-Sb-Tm","density":7.772845199885753,"density_atomic":0.07918282846549841,"volume":303.09601797638857,"volume_molar":7.6053620168720935,"formula_full":"Tm4 Sb4 O16","formula_reduced":"TmSbO4","formula_anonymous":"ABC4","energy":-182.87890948,"energy_per_atom":-7.619954561666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.88690948,"band_gap":2.3509,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004157,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.502000Z","spacegroup":2},{"id":"mp-1232177","created_at":"2022-09-04T14:40:26.570068Z","structure_string":"Ho8 Mg4 Se16\n1.0\n14.101696 0.000000 0.000000\n0.000000 8.223516 0.000000\n0.000000 0.000000 6.822908\nHo Mg Se\n8 4 16\ndirect\n0.000000 0.000000 0.500000 Ho\n0.500000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.234302 0.750000 0.002526 Ho\n0.765698 0.250000 0.997474 Ho\n0.265698 0.250000 0.502526 Ho\n0.734302 0.750000 0.497474 Ho\n0.092406 0.250000 0.920218 Mg\n0.907594 0.750000 0.079782 Mg\n0.407594 0.750000 0.420218 Mg\n0.592406 0.250000 0.579782 Mg\n0.169259 0.005454 0.740750 Se\n0.830741 0.994546 0.259250 Se\n0.330741 0.994546 0.240750 Se\n0.669259 0.005454 0.759250 Se\n0.669259 0.494546 0.759250 Se\n0.330741 0.505454 0.240750 Se\n0.830741 0.505454 0.259250 Se\n0.169259 0.494546 0.740750 Se\n0.073312 0.750000 0.250137 Se\n0.926688 0.250000 0.749863 Se\n0.426688 0.250000 0.750137 Se\n0.573312 0.750000 0.249863 Se\n0.091608 0.250000 0.290656 Se\n0.908392 0.750000 0.709344 Se\n0.408392 0.750000 0.790656 Se\n0.591608 0.250000 0.209344 Se\n","nsites":28,"nelements":3,"elements":["Ho","Mg","Se"],"chemical_system":"Ho-Mg-Se","density":5.624567618595308,"density_atomic":0.035388293966476234,"volume":791.2220924389501,"volume_molar":17.017324332461033,"formula_full":"Ho8 Mg4 Se16","formula_reduced":"Ho2MgSe4","formula_anonymous":"AB2C4","energy":-153.31202596999998,"energy_per_atom":-5.475429498928571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.76002597,"band_gap":2.0673,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.00197,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.858000Z","spacegroup":62},{"id":"mp-549709","created_at":"2022-09-04T14:40:26.563813Z","structure_string":"Er1 Bi2 Cl1 O4\n1.0\n3.879912 0.000000 0.000000\n0.000000 3.879912 0.000000\n0.000000 0.000000 8.999932\nEr Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.278044 Bi\n0.500000 0.500000 0.721956 Bi\n0.000000 0.000000 0.500000 Cl\n0.500000 0.000000 0.847950 O\n0.000000 0.500000 0.847950 O\n0.500000 0.000000 0.152050 O\n0.000000 0.500000 0.152050 O\n","nsites":8,"nelements":4,"elements":["Er","Bi","Cl","O"],"chemical_system":"Bi-Cl-Er-O","density":8.391655971734282,"density_atomic":0.05904824685132292,"volume":135.4824304969313,"volume_molar":10.198678336992963,"formula_full":"Er1 Bi2 Cl1 O4","formula_reduced":"ErBi2ClO4","formula_anonymous":"ABC2D4","energy":-53.79284836,"energy_per_atom":-6.724106045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.43084836,"band_gap":1.3769000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001017,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.607000Z","spacegroup":123},{"id":"mp-771941","created_at":"2022-09-04T14:40:26.563016Z","structure_string":"Li3 V3 S6 O24\n1.0\n9.054558 0.017441 0.023283\n5.097489 7.419947 0.005542\n5.106483 2.667204 6.960253\nLi V S O\n3 3 6 24\ndirect\n0.171581 0.131196 0.157487 Li\n0.178170 0.409408 0.781039 Li\n0.780853 0.179222 0.409066 Li\n0.355924 0.353038 0.347972 V\n0.639118 0.646180 0.645616 V\n0.848715 0.853484 0.855049 V\n0.035275 0.742238 0.471044 S\n0.465674 0.039584 0.746851 S\n0.748085 0.470888 0.032635 S\n0.249198 0.544426 0.953533 S\n0.537204 0.957647 0.254541 S\n0.955734 0.250306 0.541590 S\n0.110691 0.294355 0.505553 O\n0.299197 0.505321 0.105303 O\n0.005069 0.945194 0.349368 O\n0.518145 0.109621 0.297243 O\n0.026296 0.699544 0.664414 O\n0.229923 0.611364 0.385196 O\n0.379643 0.240556 0.615452 O\n0.340340 0.017380 0.944661 O\n0.627845 0.375066 0.233681 O\n0.045134 0.681393 0.985140 O\n0.275130 0.366660 0.955436 O\n0.352486 0.975028 0.287994 O\n0.661323 0.028016 0.700670 O\n0.710543 0.661499 0.020226 O\n0.951276 0.343330 0.999082 O\n0.375677 0.638693 0.761907 O\n0.670598 0.986863 0.048974 O\n0.631923 0.765947 0.379207 O\n0.765811 0.377617 0.637748 O\n0.958829 0.274741 0.364579 O\n0.496500 0.900097 0.686247 O\n0.982854 0.045777 0.678760 O\n0.682643 0.500522 0.897904 O\n0.889993 0.688000 0.504028 O\n","nsites":36,"nelements":4,"elements":["Li","V","S","O"],"chemical_system":"Li-O-S-V","density":2.670891526150518,"density_atomic":0.07720314885051024,"volume":466.30222388606717,"volume_molar":7.800382302619251,"formula_full":"Li3 V3 S6 O24","formula_reduced":"LiV(SO4)2","formula_anonymous":"ABC2D8","energy":-253.5372434,"energy_per_atom":-7.042701205555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-231.9492434,"band_gap":1.8683,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0001817,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.380000Z","spacegroup":1},{"id":"mp-641116","created_at":"2022-09-04T14:40:26.560858Z","structure_string":"Gd1 Mn4 Cu3 O12\n1.0\n5.987183 0.099331 -2.197389\n-2.919598 5.309919 -2.231912\n-0.050180 -0.128866 6.450709\nGd Mn Cu O\n1 4 3 12\ndirect\n0.000001 0.999987 0.999984 Gd\n0.000019 0.000033 0.500032 Mn\n0.500013 0.000016 0.000001 Mn\n0.500027 0.500001 0.500006 Mn\n-0.000029 0.500004 0.000016 Mn\n0.499994 0.000008 0.500004 Cu\n0.500013 0.500003 0.000017 Cu\n0.000001 0.500010 0.500020 Cu\n0.530828 0.834398 0.702772 O\n0.179804 0.313140 0.480007 O\n0.820209 0.686874 0.519986 O\n0.694646 0.873113 0.171037 O\n0.302636 0.474451 0.177556 O\n0.130532 0.832735 0.301541 O\n0.697389 0.525563 0.822484 O\n0.305355 0.126874 0.828948 O\n0.188739 0.709180 0.864797 O\n0.811180 0.290736 0.135126 O\n0.869475 0.167298 0.698473 O\n0.469168 0.165575 0.297193 O\n","nsites":20,"nelements":4,"elements":["Gd","Mn","Cu","O"],"chemical_system":"Cu-Gd-Mn-O","density":6.188641777358591,"density_atomic":0.098123364547309,"volume":203.82505321000525,"volume_molar":6.137315804225707,"formula_full":"Gd1 Mn4 Cu3 O12","formula_reduced":"GdMn4(CuO4)3","formula_anonymous":"AB3C4D12","energy":-157.55044292,"energy_per_atom":-7.877522146,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.63444292,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.4680284,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.612000Z","spacegroup":12},{"id":"mp-1220621","created_at":"2022-09-04T14:40:26.557726Z","structure_string":"Nd12 Al6 Fe22\n1.0\n8.112053 0.000000 0.000000\n0.000000 8.112053 0.000000\n4.056026 4.056026 11.588302\nNd Al Fe\n12 6 22\ndirect\n0.978222 0.148815 0.372963 Nd\n0.648815 0.478222 0.372963 Nd\n0.148815 0.648815 0.372963 Nd\n0.478222 0.978222 0.372963 Nd\n0.024136 0.858696 0.617168 Nd\n0.358696 0.524136 0.617168 Nd\n0.858696 0.358696 0.617168 Nd\n0.524136 0.024136 0.617168 Nd\n0.893414 0.893414 0.213172 Nd\n0.393414 0.393414 0.213172 Nd\n0.107087 0.107087 0.785826 Nd\n0.607087 0.607087 0.785826 Nd\n0.749930 0.749930 0.500140 Al\n0.249930 0.249930 0.500140 Al\n0.713241 0.975204 0.811556 Al\n0.475204 0.213240 0.811556 Al\n0.975204 0.475204 0.811556 Al\n0.213240 0.713241 0.811556 Al\n0.119681 0.261299 0.119020 Fe\n0.761299 0.619681 0.119020 Fe\n0.261299 0.761299 0.119020 Fe\n0.619681 0.119681 0.119020 Fe\n0.881152 0.732824 0.886024 Fe\n0.232824 0.381152 0.886024 Fe\n0.732824 0.232824 0.886024 Fe\n0.381152 0.881152 0.886024 Fe\n0.067400 0.789627 0.001327 Fe\n0.931273 0.209046 0.001327 Fe\n0.431273 0.289627 0.001327 Fe\n0.567400 0.709046 0.001327 Fe\n0.789627 0.931273 0.001327 Fe\n0.209046 0.067400 0.001327 Fe\n0.289627 0.567400 0.001327 Fe\n0.709046 0.431273 0.001327 Fe\n0.998692 0.498692 0.002617 Fe\n0.498692 0.998692 0.002617 Fe\n0.290994 0.019268 0.189738 Fe\n0.519268 0.790994 0.189738 Fe\n0.019268 0.519268 0.189738 Fe\n0.790994 0.290994 0.189738 Fe\n","nsites":40,"nelements":3,"elements":["Nd","Al","Fe"],"chemical_system":"Al-Fe-Nd","density":6.796961763544907,"density_atomic":0.05245400190551928,"volume":762.5728933332567,"volume_molar":11.480803258533344,"formula_full":"Nd12 Al6 Fe22","formula_reduced":"Nd6Al3Fe11","formula_anonymous":"A3B6C11","energy":-270.96650315,"energy_per_atom":-6.7741625787499995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.96650315,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":43.8800973,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.935000Z","spacegroup":108},{"id":"mp-765595","created_at":"2022-09-04T14:40:26.556124Z","structure_string":"Sn4 P12 O36\n1.0\n8.786375 0.000000 0.000000\n0.000000 8.791664 0.000000\n0.000000 0.000000 9.342828\nSn P O\n4 12 36\ndirect\n0.653873 0.628919 0.607344 Sn\n0.846127 0.371081 0.107344 Sn\n0.346127 0.128919 0.892656 Sn\n0.153873 0.871081 0.392656 Sn\n0.805975 0.694282 0.926710 P\n0.033350 0.681414 0.690310 P\n0.195053 0.525936 0.193428 P\n0.304947 0.474064 0.693428 P\n0.466650 0.318586 0.190310 P\n0.694025 0.305718 0.426710 P\n0.194025 0.194282 0.573290 P\n0.966650 0.181414 0.809690 P\n0.804947 0.025936 0.306572 P\n0.695053 0.974064 0.806572 P\n0.533350 0.818586 0.309690 P\n0.305975 0.805718 0.073290 P\n0.965728 0.727570 0.844879 O\n0.627210 0.688561 0.366582 O\n0.840503 0.631747 0.072792 O\n0.907891 0.622205 0.595041 O\n0.240546 0.634971 0.057944 O\n0.403416 0.599878 0.635657 O\n0.139757 0.620238 0.317036 O\n0.699037 0.599395 0.836263 O\n0.142082 0.543065 0.738806 O\n0.357918 0.456935 0.238806 O\n0.800963 0.400605 0.336263 O\n0.360243 0.379762 0.817036 O\n0.096584 0.400122 0.135657 O\n0.259454 0.365029 0.557944 O\n0.592109 0.377795 0.095041 O\n0.659497 0.368253 0.572792 O\n0.872790 0.311439 0.866582 O\n0.534272 0.272430 0.344879 O\n0.034272 0.227570 0.655121 O\n0.372790 0.188561 0.133418 O\n0.159497 0.131747 0.427208 O\n0.092109 0.122205 0.904959 O\n0.759454 0.134971 0.442056 O\n0.596584 0.099878 0.864343 O\n0.860243 0.120238 0.182964 O\n0.300963 0.099395 0.663737 O\n0.857918 0.043065 0.761194 O\n0.642082 0.956935 0.261194 O\n0.199037 0.900605 0.163737 O\n0.639757 0.879762 0.682964 O\n0.903416 0.900122 0.364343 O\n0.740546 0.865029 0.942056 O\n0.407891 0.877795 0.404959 O\n0.340503 0.868253 0.927208 O\n0.127210 0.811439 0.633418 O\n0.465728 0.772430 0.155121 O\n","nsites":52,"nelements":3,"elements":["Sn","P","O"],"chemical_system":"O-P-Sn","density":3.2729794924463342,"density_atomic":0.07205169023998342,"volume":721.7040964174884,"volume_molar":8.35808395325909,"formula_full":"Sn4 P12 O36","formula_reduced":"Sn(PO3)3","formula_anonymous":"AB3C9","energy":-384.52594597,"energy_per_atom":-7.394729730192308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-359.79394597,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.79021,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.902000Z","spacegroup":19},{"id":"mp-1027844","created_at":"2022-09-04T14:40:26.554372Z","structure_string":"Mg14 Zr1 Cr1\n1.0\n6.372465 0.026871 0.000000\n-3.162962 5.478410 0.000000\n0.000000 0.000000 10.193658\nMg Zr Cr\n14 1 1\ndirect\n0.166947 0.333473 0.625000 Mg\n0.166081 0.833040 0.625000 Mg\n0.663331 0.325726 0.125000 Mg\n0.666202 0.333798 0.625000 Mg\n0.663331 0.837604 0.125000 Mg\n0.666202 0.832403 0.625000 Mg\n0.329271 0.163443 0.370687 Mg\n0.329271 0.163443 0.879313 Mg\n0.329271 0.665830 0.370687 Mg\n0.329271 0.665830 0.879313 Mg\n0.837285 0.168643 0.375687 Mg\n0.837285 0.168643 0.874313 Mg\n0.839431 0.669716 0.367584 Mg\n0.839431 0.669716 0.882416 Mg\n0.164768 0.332384 0.125000 Zr\n0.172621 0.836310 0.125000 Cr\n","nsites":16,"nelements":3,"elements":["Mg","Zr","Cr"],"chemical_system":"Cr-Mg-Zr","density":2.250549733602068,"density_atomic":0.0448509776322314,"volume":356.7369284834021,"volume_molar":13.42699998510688,"formula_full":"Mg14 Zr1 Cr1","formula_reduced":"Mg14ZrCr","formula_anonymous":"ABC14","energy":-39.23582981,"energy_per_atom":-2.452239363125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.23582981,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8473438,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.349000Z","spacegroup":38},{"id":"mp-556950","created_at":"2022-09-04T14:40:26.547619Z","structure_string":"Zn16 S16\n1.0\n1.926139 -3.336171 0.000000\n1.926139 3.336171 0.000000\n0.000000 0.000000 50.398973\nZn S\n16 16\ndirect\n0.333333 0.666667 0.625009 Zn\n0.666667 0.333333 0.125015 Zn\n0.000000 0.000000 0.437512 Zn\n0.333333 0.666667 0.062523 Zn\n0.666667 0.333333 0.500009 Zn\n0.333333 0.666667 0.250007 Zn\n0.666667 0.333333 0.312505 Zn\n0.000000 0.000000 0.812508 Zn\n0.666667 0.333333 0.687513 Zn\n0.000000 0.000000 0.187517 Zn\n0.333333 0.666667 0.375028 Zn\n0.333333 0.666667 0.937513 Zn\n0.000000 0.000000 0.562523 Zn\n0.666667 0.333333 0.875013 Zn\n0.333333 0.666667 0.750027 Zn\n0.000000 0.000000 0.000009 Zn\n0.000000 0.000000 0.234348 S\n0.333333 0.666667 0.296815 S\n0.666667 0.333333 0.359397 S\n0.666667 0.333333 0.546896 S\n0.333333 0.666667 0.109355 S\n0.666667 0.333333 0.734390 S\n0.333333 0.666667 0.984321 S\n0.666667 0.333333 0.921855 S\n0.000000 0.000000 0.859359 S\n0.333333 0.666667 0.671822 S\n0.000000 0.000000 0.484319 S\n0.333333 0.666667 0.796850 S\n0.000000 0.000000 0.609354 S\n0.000000 0.000000 0.046895 S\n0.666667 0.333333 0.171859 S\n0.333333 0.666667 0.421854 S\n","nsites":32,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.998252876741824,"density_atomic":0.049404029025453045,"volume":647.7204517775978,"volume_molar":12.189574167923395,"formula_full":"Zn16 S16","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-120.32596794,"energy_per_atom":-3.760186498125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.27796794,"band_gap":2.0792,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.08e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.593000Z","spacegroup":156}]}