{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=29","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=27","results":[{"id":"mp-29069","created_at":"2022-09-04T14:40:06.852103Z","structure_string":"Na1 Cu4 S4\n1.0\n1.910064 -3.308328 0.000000\n1.910064 3.308328 0.000000\n0.000000 0.000000 12.156398\nNa Cu S\n1 4 4\ndirect\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.851628 Cu\n0.333333 0.666667 0.148372 Cu\n0.333333 0.666667 0.688544 Cu\n0.666667 0.333333 0.311456 Cu\n0.000000 0.000000 0.913200 S\n0.000000 0.000000 0.086800 S\n0.666667 0.333333 0.659121 S\n0.333333 0.666667 0.340879 S\n","nsites":9,"nelements":3,"elements":["Na","Cu","S"],"chemical_system":"Cu-Na-S","density":4.382053045902673,"density_atomic":0.05858023687710271,"volume":153.63543201235902,"volume_molar":10.280157747798178,"formula_full":"Na1 Cu4 S4","formula_reduced":"Na(CuS)4","formula_anonymous":"AB4C4","energy":-39.62746697,"energy_per_atom":-4.403051885555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.61546697,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022589,"is_theoretical":false,"updated_at":"2021-11-28T01:34:46.096000Z","spacegroup":164},{"id":"mp-505302","created_at":"2022-09-04T14:40:06.873378Z","structure_string":"U10 Ge8\n1.0\n4.290447 -7.431272 0.000000\n4.290447 7.431272 0.000000\n0.000000 0.000000 5.818643\nU Ge\n10 8\ndirect\n0.333333 0.666667 0.000000 U\n0.666667 0.333333 0.500000 U\n0.666667 0.333333 0.000000 U\n0.333333 0.666667 0.500000 U\n0.292780 0.000000 0.250000 U\n0.292780 0.292780 0.750000 U\n0.000000 0.707220 0.750000 U\n0.000000 0.292780 0.250000 U\n0.707220 0.707220 0.250000 U\n0.707220 0.000000 0.750000 U\n0.630037 0.000000 0.250000 Ge\n0.630037 0.630037 0.750000 Ge\n0.000000 0.369963 0.750000 Ge\n0.000000 0.630037 0.250000 Ge\n0.369963 0.369963 0.250000 Ge\n0.369963 0.000000 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n","nsites":18,"nelements":2,"elements":["U","Ge"],"chemical_system":"Ge-U","density":13.25348519015251,"density_atomic":0.04851266112671183,"volume":371.0371598248384,"volume_molar":12.413544464754409,"formula_full":"U10 Ge8","formula_reduced":"U5Ge4","formula_anonymous":"A4B5","energy":-153.24731226,"energy_per_atom":-8.51373957,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.24731226,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.8692185,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.711000Z","spacegroup":193},{"id":"mp-569025","created_at":"2022-09-04T14:40:06.119586Z","structure_string":"Ba38 Na58 Li26\n1.0\n16.736538 0.000000 9.662844\n5.578846 15.779359 9.662844\n0.000000 0.000000 19.325689\nBa Na Li\n38 58 26\ndirect\n0.042404 0.641171 0.274022 Ba\n0.274022 0.641171 0.042404 Ba\n0.655727 0.655727 0.032818 Ba\n0.496817 0.496817 0.126937 Ba\n0.042404 0.042404 0.274022 Ba\n0.906965 0.279104 0.906965 Ba\n0.906965 0.906965 0.906965 Ba\n0.496817 0.126937 0.496817 Ba\n0.042404 0.274022 0.042404 Ba\n0.405404 0.405404 0.783789 Ba\n0.042404 0.274022 0.641171 Ba\n0.906965 0.906965 0.279104 Ba\n0.279104 0.906965 0.906965 Ba\n0.126937 0.879429 0.496817 Ba\n0.496817 0.496817 0.879429 Ba\n0.126937 0.496817 0.879429 Ba\n0.641171 0.042404 0.274022 Ba\n0.879429 0.496817 0.496817 Ba\n0.879429 0.496817 0.126937 Ba\n0.750000 0.750000 0.750000 Ba\n0.655727 0.032818 0.655727 Ba\n0.783789 0.405404 0.405404 Ba\n0.496817 0.126937 0.879429 Ba\n0.496817 0.879429 0.496817 Ba\n0.405404 0.405404 0.405404 Ba\n0.274022 0.042404 0.042404 Ba\n0.042404 0.641171 0.042404 Ba\n0.274022 0.042404 0.641171 Ba\n0.405404 0.783789 0.405404 Ba\n0.655727 0.655727 0.655727 Ba\n0.126937 0.496817 0.496817 Ba\n0.032818 0.655727 0.655727 Ba\n0.641171 0.042404 0.042404 Ba\n0.879429 0.126937 0.496817 Ba\n0.496817 0.879429 0.126937 Ba\n0.500000 0.500000 0.500000 Ba\n0.641171 0.274022 0.042404 Ba\n0.042404 0.042404 0.641171 Ba\n0.511950 0.698802 0.894624 Na\n0.267658 0.267658 0.832045 Na\n0.632639 0.267658 0.267658 Na\n0.049316 0.852053 0.049316 Na\n0.081763 0.762910 0.762910 Na\n0.762910 0.081763 0.392418 Na\n0.049316 0.049316 0.852053 Na\n0.832045 0.267658 0.632639 Na\n0.698802 0.894624 0.894624 Na\n0.454963 0.266899 0.639069 Na\n0.267658 0.632639 0.832045 Na\n0.639069 0.266899 0.454963 Na\n0.267658 0.632639 0.267658 Na\n0.639069 0.454963 0.639069 Na\n0.632639 0.832045 0.267658 Na\n0.454963 0.639069 0.639069 Na\n0.081763 0.392418 0.762910 Na\n0.511950 0.894624 0.698802 Na\n0.639069 0.639069 0.454963 Na\n0.894624 0.698802 0.894624 Na\n0.762910 0.762910 0.081763 Na\n0.639069 0.639069 0.266899 Na\n0.639069 0.454963 0.266899 Na\n0.392418 0.762910 0.081763 Na\n0.049316 0.049316 0.049316 Na\n0.840864 0.159136 0.840864 Na\n0.840864 0.159136 0.159136 Na\n0.632639 0.267658 0.832045 Na\n0.267658 0.832045 0.632639 Na\n0.392418 0.762910 0.762910 Na\n0.639069 0.266899 0.639069 Na\n0.840864 0.840864 0.159136 Na\n0.894624 0.894624 0.511950 Na\n0.511950 0.894624 0.894624 Na\n0.762910 0.392418 0.762910 Na\n0.852053 0.049316 0.049316 Na\n0.762910 0.081763 0.762910 Na\n0.159136 0.159136 0.840864 Na\n0.081763 0.762910 0.392418 Na\n0.832045 0.632639 0.267658 Na\n0.894624 0.511950 0.698802 Na\n0.762910 0.392418 0.081763 Na\n0.698802 0.894624 0.511950 Na\n0.832045 0.267658 0.267658 Na\n0.392418 0.081763 0.762910 Na\n0.267658 0.267658 0.632639 Na\n0.698802 0.511950 0.894624 Na\n0.267658 0.832045 0.267658 Na\n0.454963 0.639069 0.266899 Na\n0.266899 0.639069 0.639069 Na\n0.894624 0.511950 0.894624 Na\n0.894624 0.894624 0.698802 Na\n0.159136 0.840864 0.159136 Na\n0.894624 0.698802 0.511950 Na\n0.159136 0.840864 0.840864 Na\n0.266899 0.639069 0.454963 Na\n0.266899 0.454963 0.639069 Na\n0.762910 0.762910 0.392418 Na\n0.181623 0.181623 0.181623 Li\n0.181623 0.181623 0.455131 Li\n0.994094 0.456260 0.274823 Li\n0.387472 0.387472 0.112528 Li\n0.455131 0.181623 0.181623 Li\n0.289396 0.289396 0.131811 Li\n0.112528 0.387472 0.387472 Li\n0.274823 0.274823 0.994094 Li\n0.456260 0.274823 0.994094 Li\n0.274823 0.994094 0.456260 Li\n0.181623 0.455131 0.181623 Li\n0.274823 0.456260 0.274823 Li\n0.274823 0.274823 0.456260 Li\n0.456260 0.274823 0.274823 Li\n0.274823 0.994094 0.274823 Li\n0.131811 0.289396 0.289396 Li\n0.289396 0.131811 0.289396 Li\n0.456260 0.994094 0.274823 Li\n0.387472 0.112528 0.387472 Li\n0.289396 0.289396 0.289396 Li\n0.274823 0.456260 0.994094 Li\n0.112528 0.387472 0.112528 Li\n0.994094 0.274823 0.456260 Li\n0.387472 0.112528 0.112528 Li\n0.994094 0.274823 0.274823 Li\n0.112528 0.112528 0.387472 Li\n","nsites":122,"nelements":3,"elements":["Ba","Na","Li"],"chemical_system":"Ba-Li-Na","density":2.1903952929286743,"density_atomic":0.023903960329851048,"volume":5103.756796636226,"volume_molar":25.19306707717217,"formula_full":"Ba38 Na58 Li26","formula_reduced":"Ba19Na29Li13","formula_anonymous":"A13B19C29","energy":-201.00728663,"energy_per_atom":-1.6476007100819674,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-201.00728663,"band_gap":0.0094,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.2211337,"is_theoretical":false,"updated_at":"2021-11-28T01:34:46.395000Z","spacegroup":216},{"id":"mp-568273","created_at":"2022-09-04T14:40:06.120003Z","structure_string":"Li2 I2\n1.0\n2.122540 -3.676348 0.000000\n2.122540 3.676348 0.000000\n0.000000 0.000000 6.978563\nLi I\n2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.250000 I\n0.666667 0.333333 0.750000 I\n","nsites":4,"nelements":2,"elements":["Li","I"],"chemical_system":"I-Li","density":4.081448049719043,"density_atomic":0.0367275107159466,"volume":108.91018536312761,"volume_molar":16.396811661361156,"formula_full":"Li2 I2","formula_reduced":"LiI","formula_anonymous":"AB","energy":-12.42226349,"energy_per_atom":-3.1055658725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.66426349,"band_gap":4.2319,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.306000Z","spacegroup":194},{"id":"mp-540997","created_at":"2022-09-04T14:40:06.923887Z","structure_string":"Fe2 Te2 Cl14\n1.0\n6.789468 0.000000 0.000000\n1.020327 8.610796 0.000000\n2.333309 0.607663 10.045694\nFe Te Cl\n2 2 14\ndirect\n0.495876 0.123660 0.123856 Fe\n0.748326 0.553698 0.563791 Fe\n0.947981 0.492641 0.095711 Te\n0.200019 0.922615 0.543279 Te\n0.817887 0.182806 0.070088 Cl\n0.291428 0.328694 0.208316 Cl\n0.481113 0.925180 0.278688 Cl\n0.411388 0.048349 0.952567 Cl\n0.063620 0.727581 0.130550 Cl\n0.164136 0.463279 0.886507 Cl\n0.672753 0.613770 0.010282 Cl\n0.071475 0.607372 0.521989 Cl\n0.542092 0.753394 0.657386 Cl\n0.669858 0.504009 0.374244 Cl\n0.711382 0.352284 0.700829 Cl\n0.323028 0.157034 0.568790 Cl\n0.993671 0.918739 0.758188 Cl\n0.940968 0.033995 0.437341 Cl\n","nsites":18,"nelements":3,"elements":["Fe","Te","Cl"],"chemical_system":"Cl-Fe-Te","density":2.4407181881875615,"density_atomic":0.030648802734035325,"volume":587.2986346710079,"volume_molar":19.64886136747014,"formula_full":"Fe2 Te2 Cl14","formula_reduced":"FeTeCl7","formula_anonymous":"ABC7","energy":-69.92339615,"energy_per_atom":-3.8846331194444446,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.32739615,"band_gap":1.2641,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.001265,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.760000Z","spacegroup":1},{"id":"mp-1102977","created_at":"2022-09-04T14:40:06.125846Z","structure_string":"Ga2 As2 O8\n1.0\n3.512584 -3.710325 0.000000\n3.512584 3.710325 0.000000\n0.000000 0.000000 7.132547\nGa As O\n2 2 8\ndirect\n0.826947 0.826947 0.500000 Ga\n0.173053 0.173053 0.000000 Ga\n0.679113 0.320887 0.250000 As\n0.320887 0.679113 0.750000 As\n0.788474 0.179989 0.452375 O\n0.820011 0.211526 0.047625 O\n0.211526 0.820011 0.952375 O\n0.179989 0.788474 0.547625 O\n0.347946 0.261221 0.221188 O\n0.738779 0.652054 0.278812 O\n0.652054 0.738779 0.721188 O\n0.261221 0.347946 0.778812 O\n","nsites":12,"nelements":3,"elements":["Ga","As","O"],"chemical_system":"As-Ga-O","density":3.727073328581183,"density_atomic":0.06454579241010912,"volume":185.9145197839506,"volume_molar":9.330028395556296,"formula_full":"Ga2 As2 O8","formula_reduced":"GaAsO4","formula_anonymous":"ABC4","energy":-78.19580746,"energy_per_atom":-6.516317288333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.69980746,"band_gap":3.0849,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005652,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.657000Z","spacegroup":20},{"id":"mp-744239","created_at":"2022-09-04T14:40:06.915695Z","structure_string":"Fe10 P8 H12 O40\n1.0\n4.438323 8.866686 0.000000\n-4.438323 8.866686 0.000000\n0.000000 1.083070 9.183642\nFe P H O\n10 8 12 40\ndirect\n0.103724 0.896276 0.750000 Fe\n0.896276 0.103724 0.250000 Fe\n0.762154 0.612964 0.682829 Fe\n0.387036 0.237846 0.817171 Fe\n0.237846 0.387036 0.317171 Fe\n0.612964 0.762154 0.182829 Fe\n0.151954 0.179345 0.614199 Fe\n0.820655 0.848046 0.885801 Fe\n0.848046 0.820655 0.385801 Fe\n0.179345 0.151954 0.114199 Fe\n0.884146 0.278438 0.889620 P\n0.721562 0.115854 0.610380 P\n0.115854 0.721562 0.110381 P\n0.278438 0.884146 0.389620 P\n0.411964 0.899162 0.858131 P\n0.100838 0.588036 0.641869 P\n0.588036 0.100838 0.141869 P\n0.899162 0.411964 0.358131 P\n0.625739 0.457765 0.627634 H\n0.542235 0.374261 0.872366 H\n0.374261 0.542235 0.372366 H\n0.457765 0.625739 0.127634 H\n0.487690 0.644766 0.705640 H\n0.355234 0.512310 0.794360 H\n0.512310 0.355234 0.294360 H\n0.644766 0.487690 0.205640 H\n0.401761 0.169793 0.521048 H\n0.830207 0.598239 0.978952 H\n0.598239 0.830207 0.478952 H\n0.169793 0.401761 0.021048 H\n0.336136 0.812867 0.820197 O\n0.187133 0.663864 0.679803 O\n0.663864 0.187133 0.179803 O\n0.812867 0.336136 0.320197 O\n0.012575 0.149928 0.770714 O\n0.850072 0.987425 0.729286 O\n0.987425 0.850072 0.229286 O\n0.149928 0.012575 0.270714 O\n0.721171 0.301157 0.906268 O\n0.698843 0.278829 0.593732 O\n0.278829 0.698843 0.093732 O\n0.301157 0.721171 0.406268 O\n0.978012 0.199830 0.038258 O\n0.800170 0.021988 0.461742 O\n0.021988 0.800170 0.961742 O\n0.199830 0.978012 0.538258 O\n0.869876 0.442780 0.844578 O\n0.557220 0.130124 0.655422 O\n0.130124 0.557220 0.155422 O\n0.442780 0.869876 0.344578 O\n0.390343 0.937493 0.024401 O\n0.062507 0.609657 0.475599 O\n0.609657 0.062507 0.975599 O\n0.937493 0.390343 0.524401 O\n0.592853 0.575937 0.643322 O\n0.424063 0.407147 0.856678 O\n0.407147 0.424063 0.356678 O\n0.575937 0.592853 0.143322 O\n0.327462 0.075540 0.770836 O\n0.924460 0.672538 0.729164 O\n0.672538 0.924460 0.229164 O\n0.075540 0.327462 0.270836 O\n0.299391 0.206012 0.473765 O\n0.793988 0.700609 0.026235 O\n0.700609 0.793988 0.526235 O\n0.206012 0.299391 0.973765 O\n0.601550 0.793172 0.815469 O\n0.206828 0.398450 0.684531 O\n0.398450 0.206828 0.184531 O\n0.793172 0.601550 0.315469 O\n","nsites":70,"nelements":4,"elements":["Fe","P","H","O"],"chemical_system":"Fe-H-O-P","density":3.350226627730835,"density_atomic":0.09684403254594928,"volume":722.8117020714449,"volume_molar":6.2183911612134635,"formula_full":"Fe10 P8 H12 O40","formula_reduced":"Fe5P4(H3O10)2","formula_anonymous":"A4B5C6D20","energy":-504.57448066,"energy_per_atom":-7.2082068665714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-454.53448066,"band_gap":1.4431000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.0001369,"is_theoretical":false,"updated_at":"2021-11-28T01:34:50.004000Z","spacegroup":15},{"id":"mp-1079076","created_at":"2022-09-04T14:40:06.923166Z","structure_string":"Hf4 Pb2 C2\n1.0\n1.685896 -2.920057 0.000000\n1.685896 2.920057 0.000000\n0.000000 0.000000 14.739258\nHf Pb C\n4 2 2\ndirect\n0.333333 0.666667 0.417898 Hf\n0.666667 0.333333 0.582102 Hf\n0.666667 0.333333 0.917898 Hf\n0.333333 0.666667 0.082102 Hf\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n","nsites":8,"nelements":3,"elements":["Hf","Pb","C"],"chemical_system":"C-Hf-Pb","density":13.18613784759003,"density_atomic":0.05512673371950818,"volume":145.1201524237771,"volume_molar":10.924174812608012,"formula_full":"Hf4 Pb2 C2","formula_reduced":"Hf2PbC","formula_anonymous":"ABC2","energy":-70.74664481,"energy_per_atom":-8.84333060125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.74664481,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014111,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.476000Z","spacegroup":194},{"id":"mp-556653","created_at":"2022-09-04T14:40:06.136231Z","structure_string":"Cd4 Bi2 As2 O12\n1.0\n4.418865 -6.096593 0.000000\n4.418865 6.096593 0.000000\n0.000000 0.000000 5.528247\nCd Bi As O\n4 2 2 12\ndirect\n0.406940 0.198249 0.386441 Cd\n0.801751 0.593060 0.386441 Cd\n0.593060 0.801751 0.886441 Cd\n0.198249 0.406940 0.886441 Cd\n0.906452 0.093548 0.391991 Bi\n0.093548 0.906452 0.891991 Bi\n0.316577 0.683423 0.346227 As\n0.683423 0.316577 0.846227 As\n0.156698 0.151672 0.632300 O\n0.092739 0.586419 0.235975 O\n0.151672 0.156698 0.132300 O\n0.848328 0.843302 0.632300 O\n0.843302 0.848328 0.132300 O\n0.556704 0.443296 0.702470 O\n0.319694 0.680306 0.661290 O\n0.907261 0.413581 0.735975 O\n0.586419 0.092739 0.735975 O\n0.443296 0.556704 0.202470 O\n0.680306 0.319694 0.161290 O\n0.413581 0.907261 0.235975 O\n","nsites":20,"nelements":4,"elements":["Cd","Bi","As","O"],"chemical_system":"As-Bi-Cd-O","density":6.742459420756851,"density_atomic":0.06714514627655642,"volume":297.86218526688884,"volume_molar":8.968840033792015,"formula_full":"Cd4 Bi2 As2 O12","formula_reduced":"Cd2BiAsO6","formula_anonymous":"ABC2D6","energy":-113.31331097,"energy_per_atom":-5.6656655485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.06931097,"band_gap":2.0584,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004056,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.967000Z","spacegroup":36},{"id":"mp-726944","created_at":"2022-09-04T14:40:05.641974Z","structure_string":"Ag4 C8 S8 N12\n1.0\n23.972924 0.000000 0.000000\n0.000000 4.039409 0.000000\n0.000000 0.813652 7.126635\nAg C S N\n4 8 8 12\ndirect\n0.302178 0.090724 0.537531 Ag\n0.197822 0.590724 0.037531 Ag\n0.697822 0.909276 0.462469 Ag\n0.802178 0.409276 0.962469 Ag\n0.433657 0.008030 0.687294 C\n0.066343 0.508030 0.187294 C\n0.566343 0.991970 0.312706 C\n0.933657 0.491970 0.812706 C\n0.309616 0.997306 0.994734 C\n0.190384 0.497306 0.494734 C\n0.690384 0.002694 0.005266 C\n0.809616 0.502694 0.505266 C\n0.397890 0.868552 0.516666 S\n0.102110 0.368552 0.016666 S\n0.602110 0.131448 0.483334 S\n0.897890 0.631448 0.983334 S\n0.251378 0.093579 0.872779 S\n0.248622 0.593579 0.372779 S\n0.748622 0.906421 0.127221 S\n0.751378 0.406421 0.627221 S\n0.462092 0.111075 0.802896 N\n0.037908 0.611075 0.302896 N\n0.537908 0.888925 0.197104 N\n0.962092 0.388925 0.697104 N\n0.349644 0.917611 0.083274 N\n0.150356 0.417611 0.583274 N\n0.650356 0.082389 0.916726 N\n0.849644 0.582389 0.416726 N\n0.439290 0.432382 0.165786 N\n0.060710 0.932382 0.665786 N\n0.560710 0.567618 0.834214 N\n0.939290 0.067618 0.334214 N\n","nsites":32,"nelements":4,"elements":["Ag","C","S","N"],"chemical_system":"Ag-C-N-S","density":2.2910529644551763,"density_atomic":0.04636888198172763,"volume":690.1179979411643,"volume_molar":12.98746163940963,"formula_full":"Ag4 C8 S8 N12","formula_reduced":"AgC2S2N3","formula_anonymous":"AB2C2D3","energy":-190.75282474,"energy_per_atom":-5.961025773125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.39682474,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.6205717,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.286000Z","spacegroup":14},{"id":"mp-731886","created_at":"2022-09-04T14:40:05.467819Z","structure_string":"Pt1 N4 Cl2 O2\n1.0\n2.448597 6.329986 0.000000\n-2.448597 6.329986 0.000000\n0.000000 0.650734 5.623870\nPt N Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.861656 0.303775 0.741107 N\n0.303775 0.861656 0.741107 N\n0.138344 0.696225 0.258893 N\n0.696225 0.138344 0.258893 N\n0.311488 0.311488 0.119454 Cl\n0.688512 0.688512 0.880546 Cl\n0.863308 0.863308 0.369083 O\n0.136692 0.136692 0.630917 O\n","nsites":9,"nelements":4,"elements":["Pt","N","Cl","O"],"chemical_system":"Cl-N-O-Pt","density":3.37198913164575,"density_atomic":0.05162465687693017,"volume":174.3352991469835,"volume_molar":11.665241232220474,"formula_full":"Pt1 N4 Cl2 O2","formula_reduced":"PtN4(ClO)2","formula_anonymous":"AB2C2D4","energy":-46.60659352,"energy_per_atom":-5.178510391111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.00459352,"band_gap":0.5729000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037616,"is_theoretical":false,"updated_at":"2021-11-28T01:34:50.820000Z","spacegroup":12},{"id":"mp-17486","created_at":"2022-09-04T14:40:08.010292Z","structure_string":"Ho6 Cu2 Si2 S14\n1.0\n4.924694 -8.529821 0.000000\n4.924694 8.529821 0.000000\n0.000000 0.000000 5.703853\nHo Cu Si S\n6 2 2 14\ndirect\n0.869637 0.642662 0.242423 Ho\n0.226976 0.869637 0.742423 Ho\n0.642662 0.773024 0.742423 Ho\n0.357338 0.226976 0.242423 Ho\n0.773024 0.130363 0.242423 Ho\n0.130363 0.357338 0.742423 Ho\n0.000000 0.000000 0.192277 Cu\n0.000000 0.000000 0.692277 Cu\n0.333333 0.666667 0.331137 Si\n0.666667 0.333333 0.831137 Si\n0.105445 0.582516 0.481751 S\n0.894555 0.417484 0.981751 S\n0.582516 0.477071 0.981751 S\n0.477071 0.894555 0.481751 S\n0.162781 0.903623 0.211451 S\n0.259158 0.162781 0.711451 S\n0.522929 0.105445 0.981751 S\n0.417484 0.522929 0.481751 S\n0.333333 0.666667 0.960413 S\n0.666667 0.333333 0.460413 S\n0.837219 0.096377 0.711451 S\n0.740842 0.837219 0.211451 S\n0.096377 0.259158 0.211451 S\n0.903623 0.740842 0.711451 S\n","nsites":24,"nelements":4,"elements":["Ho","Cu","Si","S"],"chemical_system":"Cu-Ho-S-Si","density":5.619747899881113,"density_atomic":0.050083394204338355,"volume":479.2007486968816,"volume_molar":12.024226503958365,"formula_full":"Ho6 Cu2 Si2 S14","formula_reduced":"Ho3CuSiS7","formula_anonymous":"ABC3D7","energy":-147.74872584,"energy_per_atom":-6.156196909999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.70672584,"band_gap":1.8225,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001644,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.241000Z","spacegroup":173}]}