{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12177","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12175","results":[{"id":"mp-774863","created_at":"2022-09-04T14:42:11.692371Z","structure_string":"Li1 Ni9 S10\n1.0\n5.966318 0.000000 0.000000\n-0.006228 6.249009 0.000000\n-2.946370 -1.533090 7.197749\nLi Ni S\n1 9 10\ndirect\n0.000000 0.000000 0.500000 Li\n0.096954 0.707122 0.698172 Ni\n0.195141 0.396012 0.893224 Ni\n0.400890 0.805418 0.305741 Ni\n0.599110 0.194582 0.694259 Ni\n0.500000 0.500000 0.500000 Ni\n0.696848 0.896685 0.899701 Ni\n0.804859 0.603988 0.106776 Ni\n0.903046 0.292878 0.301828 Ni\n0.303152 0.103315 0.100299 Ni\n0.478569 0.543055 0.803502 S\n0.708158 0.845599 0.607977 S\n0.876244 0.366105 0.596977 S\n0.319710 0.046154 0.806148 S\n0.123756 0.633895 0.403023 S\n0.080730 0.749592 0.001329 S\n0.291842 0.154401 0.392023 S\n0.521431 0.456945 0.196498 S\n0.680290 0.953846 0.193852 S\n0.919270 0.250408 0.998671 S\n","nsites":20,"nelements":3,"elements":["Li","Ni","S"],"chemical_system":"Li-Ni-S","density":5.295697509616509,"density_atomic":0.07452736224349059,"volume":268.3578138007541,"volume_molar":8.08044264377006,"formula_full":"Li1 Ni9 S10","formula_reduced":"LiNi9S10","formula_anonymous":"AB9C10","energy":-107.20088204,"energy_per_atom":-5.360044102,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.17088204,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.068486,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.081000Z","spacegroup":2},{"id":"mp-1030721","created_at":"2022-09-04T14:42:11.707987Z","structure_string":"Te6 Mo4 Se2\n1.0\n1.750040 -3.031158 0.000000\n1.750040 3.031158 0.000000\n0.000000 0.000000 39.625013\nTe Mo Se\n6 4 2\ndirect\n0.000000 0.000000 0.328058 Te\n0.000000 0.000000 0.703795 Te\n0.333333 0.666667 0.423396 Te\n0.333333 0.666667 0.515924 Te\n0.000000 0.000000 0.235514 Te\n0.000000 0.000000 0.611260 Te\n0.000000 0.000000 0.093925 Mo\n0.000000 0.000000 0.469656 Mo\n0.333333 0.666667 0.281770 Mo\n0.333333 0.666667 0.657547 Mo\n0.333333 0.666667 0.053072 Se\n0.333333 0.666667 0.134831 Se\n","nsites":12,"nelements":3,"elements":["Te","Mo","Se"],"chemical_system":"Mo-Se-Te","density":5.163708897771247,"density_atomic":0.0285446868338436,"volume":420.3934718167015,"volume_molar":21.097238848877243,"formula_full":"Te6 Mo4 Se2","formula_reduced":"Te3Mo2Se","formula_anonymous":"AB2C3","energy":-76.95435722,"energy_per_atom":-6.412863101666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.47835722,"band_gap":1.1737000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0104159,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.804000Z","spacegroup":156},{"id":"mp-752434","created_at":"2022-09-04T14:42:11.666618Z","structure_string":"Gd6 Y2 O12\n1.0\n4.752153 -4.896123 0.000000\n4.752153 4.896123 0.000000\n-0.292301 0.000000 6.816857\nGd Y O\n6 2 12\ndirect\n0.748144 0.937175 0.443499 Gd\n0.443499 0.748144 0.937175 Gd\n0.062825 0.556501 0.251856 Gd\n0.937175 0.443499 0.748144 Gd\n0.556501 0.251856 0.062825 Gd\n0.251856 0.062825 0.556501 Gd\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.068843 0.907305 0.313986 O\n0.686014 0.931157 0.092695 O\n0.468544 0.815598 0.600046 O\n0.092695 0.686014 0.931157 O\n0.815598 0.600046 0.468544 O\n0.399954 0.531456 0.184402 O\n0.600046 0.468544 0.815598 O\n0.184402 0.399954 0.531456 O\n0.907305 0.313986 0.068843 O\n0.531456 0.184402 0.399954 O\n0.313986 0.068843 0.907305 O\n0.931157 0.092695 0.686014 O\n","nsites":20,"nelements":3,"elements":["Gd","Y","O"],"chemical_system":"Gd-O-Y","density":6.874761182989311,"density_atomic":0.06304825659190687,"volume":317.2173360709118,"volume_molar":9.551637246656282,"formula_full":"Gd6 Y2 O12","formula_reduced":"Gd3YO6","formula_anonymous":"AB3C6","energy":-234.71833471,"energy_per_atom":-11.7359167355,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-226.47433471,"band_gap":2.9007999999999994,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":42.0006692,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.020000Z","spacegroup":148},{"id":"mp-1032414","created_at":"2022-09-04T14:42:11.670030Z","structure_string":"Li1 Mg6 Mn1 O8\n1.0\n8.520971 0.000000 0.000000\n0.000000 4.227395 0.000000\n0.000000 0.000000 4.227395\nLi Mg Mn O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.245100 0.000000 0.500000 Mg\n0.754900 0.000000 0.500000 Mg\n0.245100 0.500000 0.000000 Mg\n0.754900 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.238651 0.000000 0.000000 O\n0.761349 0.000000 0.000000 O\n0.256451 0.500000 0.500000 O\n0.743549 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":["Li","Mg","Mn","O"],"chemical_system":"Li-Mg-Mn-O","density":3.6607593844924184,"density_atomic":0.10507157362647135,"volume":152.2771521142329,"volume_molar":5.731465278524014,"formula_full":"Li1 Mg6 Mn1 O8","formula_reduced":"LiMg6MnO8","formula_anonymous":"ABC6D8","energy":-105.0743112,"energy_per_atom":-6.56714445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.9103112,"band_gap":1.1046,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0000003,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.450000Z","spacegroup":123},{"id":"mp-756498","created_at":"2022-09-04T14:42:11.695278Z","structure_string":"Li3 Fe1 Ni3 O8\n1.0\n5.110627 -2.909405 0.000000\n5.110627 2.909405 0.000000\n3.454346 0.000000 4.759269\nLi Fe Ni O\n3 1 3 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.261593 0.261593 0.261593 O\n0.772237 0.772237 0.236690 O\n0.236690 0.772237 0.772237 O\n0.738407 0.738407 0.738407 O\n0.772237 0.236690 0.772237 O\n0.227763 0.227763 0.763310 O\n0.763310 0.227763 0.227763 O\n0.227763 0.763310 0.227763 O\n","nsites":15,"nelements":4,"elements":["Li","Fe","Ni","O"],"chemical_system":"Fe-Li-Ni-O","density":4.467173983362362,"density_atomic":0.10598457072341154,"volume":141.53003496278316,"volume_molar":5.682091948757344,"formula_full":"Li3 Fe1 Ni3 O8","formula_reduced":"Li3FeNi3O8","formula_anonymous":"AB3C3D8","energy":-92.90612627,"energy_per_atom":-6.1937417513333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.53112627,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0004598,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.180000Z","spacegroup":166},{"id":"mp-1001016","created_at":"2022-09-04T14:42:11.703774Z","structure_string":"Sc4 Zn2 Se8\n1.0\n0.000000 5.534947 5.534947\n5.534947 0.000000 5.534947\n5.534947 5.534947 0.000000\nSc Zn Se\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Sc\n0.625000 0.125000 0.625000 Sc\n0.625000 0.625000 0.125000 Sc\n0.625000 0.625000 0.625000 Sc\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.860848 0.379717 0.379717 Se\n0.379717 0.860848 0.379717 Se\n0.379717 0.379717 0.860848 Se\n0.379717 0.379717 0.379717 Se\n0.389152 0.870283 0.870283 Se\n0.870283 0.389152 0.870283 Se\n0.870283 0.870283 0.389152 Se\n0.870283 0.870283 0.870283 Se\n","nsites":14,"nelements":3,"elements":["Sc","Zn","Se"],"chemical_system":"Sc-Se-Zn","density":4.614002974754961,"density_atomic":0.041281706336104014,"volume":339.13326852373655,"volume_molar":14.587916281777279,"formula_full":"Sc4 Zn2 Se8","formula_reduced":"Sc2ZnSe4","formula_anonymous":"AB2C4","energy":-79.25143478999999,"energy_per_atom":-5.660816770714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.47543479,"band_gap":0.1396000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008191,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.621000Z","spacegroup":227},{"id":"mp-1183942","created_at":"2022-09-04T14:42:11.708998Z","structure_string":"Eu2 Ag1 Sb1\n1.0\n0.000000 3.882229 3.882229\n3.882229 0.000000 3.882229\n3.882229 3.882229 0.000000\nEu Ag Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n","nsites":4,"nelements":3,"elements":["Eu","Ag","Sb"],"chemical_system":"Ag-Eu-Sb","density":7.571044945423845,"density_atomic":0.03418114033901972,"volume":117.0235972330558,"volume_molar":17.618314369475215,"formula_full":"Eu2 Ag1 Sb1","formula_reduced":"Eu2AgSb","formula_anonymous":"ABC2","energy":-30.5728919,"energy_per_atom":-7.643222975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.3808919,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9946797,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.724000Z","spacegroup":225},{"id":"mp-1078348","created_at":"2022-09-04T14:42:11.713285Z","structure_string":"Ce2 Ga6 Pd2\n1.0\n3.201848 -5.150692 0.000000\n3.201848 5.150692 0.000000\n0.000000 0.000000 5.915802\nCe Ga Pd\n2 6 2\ndirect\n0.233659 0.766341 0.750000 Ce\n0.766341 0.233659 0.250000 Ce\n0.665499 0.334501 0.750000 Ga\n0.334501 0.665499 0.250000 Ga\n0.716066 0.716066 0.000000 Ga\n0.716066 0.716066 0.500000 Ga\n0.283934 0.283934 0.000000 Ga\n0.283934 0.283934 0.500000 Ga\n0.905647 0.094353 0.750000 Pd\n0.094353 0.905647 0.250000 Pd\n","nsites":10,"nelements":3,"elements":["Ce","Ga","Pd"],"chemical_system":"Ce-Ga-Pd","density":7.756270907086534,"density_atomic":0.05124955310048138,"volume":195.12365269593093,"volume_molar":11.750621021402495,"formula_full":"Ce2 Ga6 Pd2","formula_reduced":"CeGa3Pd","formula_anonymous":"ABC3","energy":-47.24782547,"energy_per_atom":-4.724782547,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.24782547,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2337567,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.863000Z","spacegroup":63},{"id":"mp-776529","created_at":"2022-09-04T14:42:11.724931Z","structure_string":"Na1 Li1 Mn2 Fe4 P6 O24\n1.0\n6.471927 0.000000 0.000000\n-2.434898 8.336199 0.000000\n-2.515668 -1.167760 8.303817\nNa Li Mn Fe P O\n1 1 2 4 6 24\ndirect\n0.001447 0.498318 0.500899 Na\n0.753502 0.010831 0.990147 Li\n0.252780 0.269876 0.729899 Mn\n0.745897 0.723115 0.277271 Mn\n0.364846 0.934504 0.621729 Fe\n0.871884 0.629986 0.932988 Fe\n0.135939 0.376080 0.067604 Fe\n0.627306 0.065603 0.371767 Fe\n0.374983 0.656583 0.869306 P\n0.870088 0.866089 0.651477 P\n0.248604 0.712879 0.285365 P\n0.750999 0.286585 0.715247 P\n0.120655 0.132608 0.345521 P\n0.633656 0.347146 0.131168 P\n0.103256 0.995040 0.665782 O\n0.186930 0.609834 0.954967 O\n0.405141 0.829928 0.819887 O\n0.607049 0.669142 0.997933 O\n0.679311 0.950393 0.594720 O\n0.875259 0.822525 0.822403 O\n0.310009 0.525421 0.727241 O\n0.236828 0.741787 0.458707 O\n0.030437 0.736999 0.169053 O\n0.467097 0.830053 0.264257 O\n0.827460 0.721119 0.529478 O\n0.746097 0.461813 0.743086 O\n0.257177 0.537826 0.258623 O\n0.168144 0.274571 0.472385 O\n0.535063 0.167292 0.740357 O\n0.966008 0.257440 0.833724 O\n0.760181 0.256758 0.541843 O\n0.693670 0.473118 0.276626 O\n0.093979 0.178176 0.171953 O\n0.315827 0.051540 0.397780 O\n0.398696 0.336052 0.007618 O\n0.625603 0.175901 0.178630 O\n0.817760 0.398826 0.042826 O\n0.890433 0.998924 0.329060 O\n","nsites":38,"nelements":6,"elements":["Na","Li","Mn","Fe","P","O"],"chemical_system":"Fe-Li-Mn-Na-O-P","density":3.458265123577937,"density_atomic":0.08482114750627472,"volume":448.0014845023043,"volume_molar":7.099810527267988,"formula_full":"Na1 Li1 Mn2 Fe4 P6 O24","formula_reduced":"NaLiMn2Fe4(PO4)6","formula_anonymous":"ABC2D4E6F24","energy":-298.54266735,"energy_per_atom":-7.856385982894737,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-269.69466735,"band_gap":1.3958,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":30.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.223000Z","spacegroup":1},{"id":"mp-1192966","created_at":"2022-09-04T14:42:11.753476Z","structure_string":"Hg8 P4 O16\n1.0\n6.339676 4.810121 0.000000\n-6.339676 4.810121 0.000000\n0.000000 3.028439 7.604360\nHg P O\n8 4 16\ndirect\n0.763474 0.558627 0.050285 Hg\n0.441373 0.236526 0.449715 Hg\n0.236526 0.441373 0.949715 Hg\n0.558627 0.763474 0.550285 Hg\n0.925397 0.566252 0.298026 Hg\n0.433748 0.074603 0.201974 Hg\n0.074603 0.433748 0.701974 Hg\n0.566252 0.925397 0.798026 Hg\n0.050207 0.949793 0.750000 P\n0.949793 0.050207 0.250000 P\n0.362961 0.637039 0.250000 P\n0.637039 0.362961 0.750000 P\n0.407412 0.824113 0.111105 O\n0.175887 0.592588 0.388895 O\n0.592588 0.175887 0.888895 O\n0.824113 0.407412 0.611105 O\n0.364917 0.488909 0.154533 O\n0.511091 0.635083 0.345467 O\n0.635083 0.511091 0.845467 O\n0.488909 0.364917 0.654533 O\n0.849187 0.892823 0.873012 O\n0.107177 0.150813 0.626988 O\n0.150813 0.107177 0.126988 O\n0.892823 0.849187 0.373012 O\n0.180183 0.931798 0.861923 O\n0.068202 0.819817 0.638077 O\n0.819817 0.068202 0.138077 O\n0.931798 0.180183 0.361923 O\n","nsites":28,"nelements":3,"elements":["Hg","P","O"],"chemical_system":"Hg-O-P","density":7.10571112739697,"density_atomic":0.06037293683113883,"volume":463.7839646316213,"volume_molar":9.974901133008874,"formula_full":"Hg8 P4 O16","formula_reduced":"Hg2PO4","formula_anonymous":"AB2C4","energy":-145.37404841,"energy_per_atom":-5.191930300357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.38204841,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0092232,"is_theoretical":false,"updated_at":"2021-11-28T01:35:39.715000Z","spacegroup":15},{"id":"mp-631562","created_at":"2022-09-04T14:42:11.764045Z","structure_string":"Si1 B1 Au1\n1.0\n0.000000 2.818707 2.818707\n2.818707 0.000000 2.818707\n2.818707 2.818707 0.000000\nSi B Au\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Au\n","nsites":3,"nelements":3,"elements":["Si","B","Au"],"chemical_system":"Au-B-Si","density":8.74438448367475,"density_atomic":0.06697943149181283,"volume":44.78986956416168,"volume_molar":8.991029971247382,"formula_full":"Si1 B1 Au1","formula_reduced":"SiBAu","formula_anonymous":"ABC","energy":-12.66862925,"energy_per_atom":-4.222876416666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.66862925,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021242,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.349000Z","spacegroup":216},{"id":"mp-1025378","created_at":"2022-09-04T14:42:11.719996Z","structure_string":"V2 Fe1 Te4\n1.0\n1.961330 6.883643 0.000000\n-1.961330 6.883643 0.000000\n0.000000 3.356750 5.941747\nV Fe Te\n2 1 4\ndirect\n0.249038 0.249038 0.793731 V\n0.750962 0.750962 0.206269 V\n0.000000 0.000000 0.000000 Fe\n0.107776 0.107776 0.232341 Te\n0.892224 0.892224 0.767659 Te\n0.364239 0.364239 0.302343 Te\n0.635761 0.635761 0.697657 Te\n","nsites":7,"nelements":3,"elements":["V","Fe","Te"],"chemical_system":"Fe-Te-V","density":6.915054523570391,"density_atomic":0.04362996641793893,"volume":160.44018766702223,"volume_molar":13.8027627670232,"formula_full":"V2 Fe1 Te4","formula_reduced":"V2FeTe4","formula_anonymous":"AB2C4","energy":-42.33813476,"energy_per_atom":-6.048304965714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.65013476,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.2542439,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.447000Z","spacegroup":12}]}