{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12117","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12115","results":[{"id":"mp-865677","created_at":"2022-09-04T14:46:12.408631Z","structure_string":"Th1 Sn1 Pd2\n1.0\n0.000000 3.500413 3.500413\n3.500413 0.000000 3.500413\n3.500413 3.500413 0.000000\nTh Sn Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n","nsites":4,"nelements":3,"elements":["Th","Sn","Pd"],"chemical_system":"Pd-Sn-Th","density":10.909956557814215,"density_atomic":0.0466307210974961,"volume":85.78035908208989,"volume_molar":12.914534920892242,"formula_full":"Th1 Sn1 Pd2","formula_reduced":"ThSnPd2","formula_anonymous":"ABC2","energy":-24.96538907,"energy_per_atom":-6.2413472675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.96538907,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009363,"is_theoretical":true,"updated_at":"2021-11-28T01:37:24.719000Z","spacegroup":225},{"id":"mp-1216452","created_at":"2022-09-04T14:46:12.418856Z","structure_string":"V6 Si1 C1\n1.0\n4.574522 0.000000 0.000000\n0.000000 4.574522 0.000000\n0.000000 0.000000 4.574522\nV Si C\n6 1 1\ndirect\n0.000000 0.500000 0.742773 V\n0.500000 0.257227 0.000000 V\n0.742773 0.000000 0.500000 V\n0.000000 0.500000 0.257227 V\n0.500000 0.742773 0.000000 V\n0.257227 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 C\n","nsites":8,"nelements":3,"elements":["V","Si","C"],"chemical_system":"C-Si-V","density":5.997470151940034,"density_atomic":0.0835704662771612,"volume":95.72759799458368,"volume_molar":7.2060633717509575,"formula_full":"V6 Si1 C1","formula_reduced":"V6SiC","formula_anonymous":"ABC6","energy":-69.49567127,"energy_per_atom":-8.68695890875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.49567127,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2777394,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.798000Z","spacegroup":200},{"id":"mp-559969","created_at":"2022-09-04T14:46:12.433636Z","structure_string":"Ca4 La4 Ga4 O16\n1.0\n5.392485 0.000000 0.000000\n0.000000 6.893193 0.000000\n0.000000 0.000000 11.905552\nCa La Ga O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.507111 0.750000 0.779419 La\n0.992889 0.750000 0.279419 La\n0.007111 0.250000 0.720581 La\n0.492889 0.250000 0.220581 La\n0.433133 0.750000 0.090007 Ga\n0.566867 0.250000 0.909993 Ga\n0.933133 0.250000 0.409993 Ga\n0.066867 0.750000 0.590007 Ga\n0.270652 0.959162 0.162622 O\n0.270652 0.540838 0.162622 O\n0.723245 0.250000 0.050559 O\n0.725382 0.750000 0.591990 O\n0.229348 0.540838 0.662622 O\n0.223245 0.750000 0.449441 O\n0.770652 0.040838 0.337378 O\n0.274618 0.250000 0.408010 O\n0.229348 0.959162 0.662622 O\n0.774618 0.750000 0.091990 O\n0.225382 0.250000 0.908010 O\n0.729348 0.040838 0.837378 O\n0.770652 0.459162 0.337378 O\n0.729348 0.459162 0.837378 O\n0.276755 0.750000 0.949441 O\n0.776755 0.250000 0.550559 O\n","nsites":28,"nelements":4,"elements":["Ca","La","Ga","O"],"chemical_system":"Ca-Ga-La-O","density":4.693358213562172,"density_atomic":0.06327018598209708,"volume":442.54651010387227,"volume_molar":9.518133488186718,"formula_full":"Ca4 La4 Ga4 O16","formula_reduced":"CaLaGaO4","formula_anonymous":"ABCD4","energy":-209.31815156,"energy_per_atom":-7.47564827,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.32615156,"band_gap":3.4555,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.47e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.524000Z","spacegroup":62},{"id":"mp-1197876","created_at":"2022-09-04T14:46:12.435359Z","structure_string":"Pr4 C8 Br4 O28\n1.0\n16.584464 0.000000 0.000000\n0.000000 6.066484 0.000000\n0.000000 3.384418 8.330654\nPr C Br O\n4 8 4 28\ndirect\n0.607852 0.339257 0.147462 Pr\n0.892148 0.339257 0.647462 Pr\n0.392148 0.660743 0.852538 Pr\n0.107852 0.660743 0.352538 Pr\n0.529983 0.898434 0.044921 C\n0.970017 0.898434 0.544921 C\n0.470017 0.101566 0.955079 C\n0.029983 0.101566 0.455079 C\n0.574311 0.800938 0.565835 C\n0.925689 0.800938 0.065835 C\n0.425689 0.199062 0.434165 C\n0.074311 0.199062 0.934165 C\n0.786203 0.191893 0.130437 Br\n0.713797 0.191893 0.630437 Br\n0.213797 0.808107 0.869563 Br\n0.286203 0.808107 0.369563 Br\n0.521122 0.705171 0.019737 O\n0.978878 0.705171 0.519737 O\n0.478878 0.294829 0.980263 O\n0.021122 0.294829 0.480263 O\n0.606678 0.915247 0.446296 O\n0.893322 0.915247 0.946296 O\n0.393322 0.084753 0.553704 O\n0.106678 0.084753 0.053704 O\n0.581662 0.934520 0.134602 O\n0.918338 0.934520 0.634602 O\n0.418338 0.065480 0.865398 O\n0.081662 0.065480 0.365398 O\n0.461797 0.307224 0.316181 O\n0.038203 0.307224 0.816181 O\n0.538203 0.692776 0.683819 O\n0.961797 0.692776 0.183819 O\n0.683136 0.422885 0.916497 O\n0.816864 0.422885 0.416497 O\n0.316864 0.577115 0.083503 O\n0.183136 0.577115 0.583503 O\n0.724935 0.583783 0.088952 O\n0.775065 0.583783 0.588952 O\n0.275065 0.416217 0.911048 O\n0.224935 0.416217 0.411048 O\n0.648256 0.412866 0.376027 O\n0.851744 0.412866 0.876027 O\n0.351744 0.587134 0.623973 O\n0.148256 0.587134 0.123973 O\n","nsites":44,"nelements":4,"elements":["Pr","C","Br","O"],"chemical_system":"Br-C-O-Pr","density":2.827818006025836,"density_atomic":0.05249707216784368,"volume":838.141979791238,"volume_molar":11.471384043563436,"formula_full":"Pr4 C8 Br4 O28","formula_reduced":"PrC2BrO7","formula_anonymous":"ABC2D7","energy":-294.62867542,"energy_per_atom":-6.696106259545454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-275.39267542,"band_gap":0.5196,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":19.9861192,"is_theoretical":true,"updated_at":"2021-11-28T01:37:22.233000Z","spacegroup":14},{"id":"mp-1384134","created_at":"2022-09-04T14:46:12.442349Z","structure_string":"Y2 Ni4 O8\n1.0\n5.349521 -3.112650 0.000000\n5.349521 3.112650 0.000000\n3.538407 0.000000 5.077957\nY Ni O\n2 4 8\ndirect\n0.620891 0.620891 0.620891 Y\n0.379109 0.379109 0.379109 Y\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.764233 0.198027 0.764233 O\n0.235767 0.235767 0.801973 O\n0.801973 0.235767 0.235767 O\n0.238469 0.238469 0.238469 O\n0.764233 0.764233 0.198027 O\n0.235767 0.801973 0.235767 O\n0.198027 0.764233 0.764233 O\n0.761531 0.761531 0.761531 O\n","nsites":14,"nelements":3,"elements":["Y","Ni","O"],"chemical_system":"Ni-O-Y","density":5.30817548942357,"density_atomic":0.08278732211389914,"volume":169.10801850479888,"volume_molar":7.274230650575597,"formula_full":"Y2 Ni4 O8","formula_reduced":"Y(NiO2)2","formula_anonymous":"AB2C4","energy":-103.40283588,"energy_per_atom":-7.385916848571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.74283588,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.311000Z","spacegroup":166},{"id":"mp-867146","created_at":"2022-09-04T14:46:12.764607Z","structure_string":"Sc1 Nb1 Ru2\n1.0\n0.000000 3.191620 3.191620\n3.191620 0.000000 3.191620\n3.191620 3.191620 0.000000\nSc Nb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n","nsites":4,"nelements":3,"elements":["Sc","Nb","Ru"],"chemical_system":"Nb-Ru-Sc","density":8.682952252731015,"density_atomic":0.06151718612105775,"volume":65.02247993151906,"volume_molar":9.789363167797072,"formula_full":"Sc1 Nb1 Ru2","formula_reduced":"ScNbRu2","formula_anonymous":"ABC2","energy":-37.11997397,"energy_per_atom":-9.2799934925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.11997397,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006391,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.129000Z","spacegroup":225},{"id":"mp-1227618","created_at":"2022-09-04T14:46:12.398873Z","structure_string":"Ca9 Y3 Co4 O24\n1.0\n6.307455 0.000000 0.000000\n0.019420 8.850930 0.000000\n0.197083 0.040115 9.039171\nCa Y Co O\n9 3 4 24\ndirect\n0.109720 0.320106 0.070839 Ca\n0.747620 0.858692 0.250132 Ca\n0.749972 0.359088 0.749755 Ca\n0.891640 0.177174 0.429199 Ca\n0.890287 0.678694 0.928571 Ca\n0.252112 0.145141 0.751571 Ca\n0.250185 0.640575 0.249286 Ca\n0.608925 0.678137 0.570722 Ca\n0.606760 0.178627 0.072477 Ca\n0.392126 0.320727 0.429333 Y\n0.392063 0.821437 0.929051 Y\n0.107087 0.822134 0.569639 Y\n0.502496 0.998942 0.502831 Co\n0.502021 0.499094 0.002481 Co\n0.995507 0.000755 0.998057 Co\n0.996674 0.498978 0.498362 Co\n0.431725 0.890276 0.678837 O\n0.434007 0.393894 0.180814 O\n0.786223 0.928999 0.505762 O\n0.775500 0.432624 0.005371 O\n0.566970 0.175957 0.606801 O\n0.566478 0.676960 0.107429 O\n0.934801 0.100375 0.174855 O\n0.938646 0.608507 0.672604 O\n0.079971 0.329841 0.605101 O\n0.078758 0.829898 0.100640 O\n0.282053 0.567346 0.502594 O\n0.282981 0.063537 0.000145 O\n0.561042 0.108358 0.328015 O\n0.563224 0.609577 0.826862 O\n0.219113 0.068756 0.498600 O\n0.226078 0.572771 0.993658 O\n0.419113 0.829224 0.397294 O\n0.425780 0.330310 0.893964 O\n0.070094 0.888677 0.818396 O\n0.070312 0.391563 0.326016 O\n0.934769 0.674848 0.392202 O\n0.928987 0.167410 0.891768 O\n0.714551 0.431524 0.494845 O\n0.713626 0.930466 0.995118 O\n","nsites":40,"nelements":4,"elements":["Ca","Y","Co","O"],"chemical_system":"Ca-Co-O-Y","density":4.103854136901672,"density_atomic":0.07926625174320792,"volume":504.62837740309163,"volume_molar":7.5973578005295535,"formula_full":"Ca9 Y3 Co4 O24","formula_reduced":"Ca9Y3(CoO6)4","formula_anonymous":"A3B4C9D24","energy":-286.28543723,"energy_per_atom":-7.15713593075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-263.24543723,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0000016,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.179000Z","spacegroup":1},{"id":"mp-1215213","created_at":"2022-09-04T14:46:12.404722Z","structure_string":"Zr1 Ta1 Cr4\n1.0\n0.000000 3.522158 3.522158\n3.522158 0.000000 3.522158\n3.522158 3.522158 0.000000\nZr Ta Cr\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ta\n0.624787 0.624787 0.125638 Cr\n0.624787 0.125638 0.624787 Cr\n0.125638 0.624787 0.624787 Cr\n0.624787 0.624787 0.624787 Cr\n","nsites":6,"nelements":3,"elements":["Zr","Ta","Cr"],"chemical_system":"Cr-Ta-Zr","density":9.123788581152352,"density_atomic":0.06865856981293825,"volume":87.38894527437914,"volume_molar":8.7711421551708,"formula_full":"Zr1 Ta1 Cr4","formula_reduced":"ZrTaCr4","formula_anonymous":"ABC4","energy":-59.43735634,"energy_per_atom":-9.906226056666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.43735634,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0066839,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.698000Z","spacegroup":216},{"id":"mp-850277","created_at":"2022-09-04T14:46:12.408465Z","structure_string":"Sr2 Ca2 I8\n1.0\n-4.833974 5.385987 5.386170\n4.833974 -5.385987 5.386170\n4.833974 5.385987 -5.386170\nSr Ca I\n2 2 8\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.015254 0.265254 0.750000 Ca\n0.984746 0.734746 0.250000 Ca\n0.272311 0.727469 0.544842 I\n0.190327 0.705195 0.014868 I\n0.809673 0.824542 0.514868 I\n0.682627 0.727469 0.955158 I\n0.317373 0.272531 0.044842 I\n0.809673 0.294805 0.985132 I\n0.190327 0.175458 0.485132 I\n0.727689 0.272531 0.455158 I\n","nsites":12,"nelements":3,"elements":["Sr","Ca","I"],"chemical_system":"Ca-I-Sr","density":3.7614833606327736,"density_atomic":0.021392994872367913,"volume":560.9312801500131,"volume_molar":28.150059381253104,"formula_full":"Sr2 Ca2 I8","formula_reduced":"SrCaI4","formula_anonymous":"ABC4","energy":-42.304169470000005,"energy_per_atom":-3.5253474558333338,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.27216947,"band_gap":3.5551,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003442,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.241000Z","spacegroup":74},{"id":"mp-4630","created_at":"2022-09-04T14:46:12.421924Z","structure_string":"Li4 Ru2 O6\n1.0\n4.420131 2.555440 0.000000\n-4.420131 2.555440 0.000000\n0.000000 1.702494 4.915944\nLi Ru O\n4 2 6\ndirect\n0.339164 0.660836 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.660836 0.339164 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.833515 0.166485 0.000000 Ru\n0.166485 0.833515 0.000000 Ru\n0.764839 0.764839 0.238280 O\n0.077489 0.421651 0.235578 O\n0.235161 0.235161 0.761720 O\n0.578349 0.922511 0.764422 O\n0.421651 0.077489 0.235578 O\n0.922511 0.578349 0.764422 O\n","nsites":12,"nelements":3,"elements":["Li","Ru","O"],"chemical_system":"Li-O-Ru","density":4.87299806667223,"density_atomic":0.10805465826068092,"volume":111.05490677736545,"volume_molar":5.573235672516439,"formula_full":"Li4 Ru2 O6","formula_reduced":"Li2RuO3","formula_anonymous":"AB2C3","energy":-78.17905348,"energy_per_atom":-6.514921123333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.05705348,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9975657,"is_theoretical":false,"updated_at":"2021-11-28T01:37:25.574000Z","spacegroup":12},{"id":"mp-27507","created_at":"2022-09-04T14:46:12.423518Z","structure_string":"Sc2 Cl2\n1.0\n9.963051 -1.747416 0.000000\n9.963051 1.747416 0.000000\n9.656572 0.000000 3.011056\nSc Cl\n2 2\ndirect\n0.790809 0.790809 0.790809 Sc\n0.209191 0.209191 0.209191 Sc\n0.597529 0.597529 0.597529 Cl\n0.402471 0.402471 0.402471 Cl\n","nsites":4,"nelements":2,"elements":["Sc","Cl"],"chemical_system":"Cl-Sc","density":2.5470987880597593,"density_atomic":0.038152456127306146,"volume":104.84252931588209,"volume_molar":15.784411729366711,"formula_full":"Sc2 Cl2","formula_reduced":"ScCl","formula_anonymous":"AB","energy":-23.28992242,"energy_per_atom":-5.822480605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.06192242,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5526911,"is_theoretical":false,"updated_at":"2021-11-28T01:37:24.871000Z","spacegroup":166},{"id":"mp-696132","created_at":"2022-09-04T14:46:12.463724Z","structure_string":"Zr10 Zn2 Pb6\n1.0\n4.418639 -7.653307 0.000000\n4.418639 7.653307 0.000000\n0.000000 0.000000 5.956352\nZr Zn Pb\n10 2 6\ndirect\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.266599 0.000000 0.250000 Zr\n0.266599 0.266599 0.750000 Zr\n0.000000 0.733401 0.750000 Zr\n0.000000 0.266599 0.250000 Zr\n0.733401 0.733401 0.250000 Zr\n0.733401 0.000000 0.750000 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.615942 0.000000 0.250000 Pb\n0.615942 0.615942 0.750000 Pb\n0.000000 0.384058 0.750000 Pb\n0.000000 0.615942 0.250000 Pb\n0.384058 0.384058 0.250000 Pb\n0.384058 0.000000 0.750000 Pb\n","nsites":18,"nelements":3,"elements":["Zr","Zn","Pb"],"chemical_system":"Pb-Zn-Zr","density":9.423805817683698,"density_atomic":0.04468116602216303,"volume":402.85430310998436,"volume_molar":13.478029550555732,"formula_full":"Zr10 Zn2 Pb6","formula_reduced":"Zr5ZnPb3","formula_anonymous":"AB3C5","energy":-116.21297212,"energy_per_atom":-6.456276228888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.21297212,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014591,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.791000Z","spacegroup":193}]}