{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=10206","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=10204","results":[{"id":"mp-1183074","created_at":"2022-09-04T14:46:29.037463Z","structure_string":"Ac2 Mg1 Ga1\n1.0\n0.000000 4.010121 4.010121\n4.010121 0.000000 4.010121\n4.010121 4.010121 0.000000\nAc Mg Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ga\n","nsites":4,"nelements":3,"elements":["Ac","Mg","Ga"],"chemical_system":"Ac-Ga-Mg","density":7.055851286179444,"density_atomic":0.031013984425382463,"volume":128.974076504866,"volume_molar":19.417501077582795,"formula_full":"Ac2 Mg1 Ga1","formula_reduced":"Ac2MgGa","formula_anonymous":"ABC2","energy":-13.81627708,"energy_per_atom":-3.45406927,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.81627708,"band_gap":0.2016,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026135,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.766000Z","spacegroup":225},{"id":"mp-1190219","created_at":"2022-09-04T14:42:50.357199Z","structure_string":"Li8 H4 N4\n1.0\n4.909856 0.000000 0.000000\n0.000000 4.909856 0.000000\n0.000000 0.000000 5.350105\nLi H N\n8 4 4\ndirect\n0.000000 0.000000 0.501925 Li\n0.000000 0.000000 0.001925 Li\n0.500000 0.500000 0.508701 Li\n0.500000 0.500000 0.008701 Li\n0.500000 0.000000 0.471181 Li\n0.000000 0.500000 0.971181 Li\n0.500000 0.000000 0.045803 Li\n0.000000 0.500000 0.545803 Li\n0.228000 0.460645 0.256661 H\n0.772000 0.539355 0.256661 H\n0.460645 0.772000 0.756661 H\n0.539355 0.228000 0.756661 H\n0.250188 0.744579 0.757635 N\n0.749812 0.255421 0.757635 N\n0.744579 0.749812 0.257635 N\n0.255421 0.250188 0.257635 N\n","nsites":16,"nelements":3,"elements":["Li","H","N"],"chemical_system":"H-Li-N","density":1.488183965116044,"density_atomic":0.12405668365319762,"volume":128.9733009849614,"volume_molar":4.854346080083027,"formula_full":"Li8 H4 N4","formula_reduced":"Li2HN","formula_anonymous":"ABC2","energy":-71.02947826,"energy_per_atom":-4.43934239125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.58547826,"band_gap":2.5998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005009,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.792000Z","spacegroup":84},{"id":"mp-1183320","created_at":"2022-09-04T14:41:01.838345Z","structure_string":"As2 Pt6\n1.0\n2.793521 -4.838520 0.000000\n2.793521 4.838520 0.000000\n0.000000 0.000000 4.770865\nAs Pt\n2 6\ndirect\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n0.166470 0.332940 0.250000 Pt\n0.667060 0.833530 0.250000 Pt\n0.166470 0.833530 0.250000 Pt\n0.833530 0.667060 0.750000 Pt\n0.332940 0.166470 0.750000 Pt\n0.833530 0.166470 0.750000 Pt\n","nsites":8,"nelements":2,"elements":["As","Pt"],"chemical_system":"As-Pt","density":16.999871631563895,"density_atomic":0.06202951460196982,"volume":128.97086252140284,"volume_molar":9.708508600531205,"formula_full":"As2 Pt6","formula_reduced":"AsPt3","formula_anonymous":"AB3","energy":-45.36184405,"energy_per_atom":-5.67023050625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.36184405,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031079,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.915000Z","spacegroup":194},{"id":"mp-1247567","created_at":"2022-09-04T14:43:56.439713Z","structure_string":"Cr2 Cu4 N6\n1.0\n5.214379 -0.062751 0.000000\n-2.706837 4.635051 0.000000\n0.000000 0.000000 5.373551\nCr Cu N\n2 4 6\ndirect\n0.000000 0.842135 0.943604 Cr\n0.000000 0.157865 0.443604 Cr\n0.307961 0.829797 0.494977 Cu\n0.692039 0.521837 0.494977 Cu\n0.692039 0.170203 0.994977 Cu\n0.307961 0.478163 0.994977 Cu\n0.315395 0.829223 0.862019 N\n0.684605 0.513827 0.862019 N\n0.684605 0.170777 0.362019 N\n0.315395 0.486173 0.362019 N\n0.000000 0.855515 0.286786 N\n0.000000 0.144485 0.786786 N\n","nsites":12,"nelements":3,"elements":["Cr","Cu","N"],"chemical_system":"Cr-Cu-N","density":5.694143534169649,"density_atomic":0.09305200046564635,"volume":128.960150667908,"volume_molar":6.471801497941251,"formula_full":"Cr2 Cu4 N6","formula_reduced":"CrCu2N3","formula_anonymous":"AB2C3","energy":-85.72549642999999,"energy_per_atom":-7.143791369166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.55949643,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0309534,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.067000Z","spacegroup":36},{"id":"mp-1205806","created_at":"2022-09-04T14:41:16.461734Z","structure_string":"Fe1 Pb2 W1 O6\n1.0\n0.000000 4.009941 4.009941\n4.009941 0.000000 4.009941\n4.009941 4.009941 0.000000\nFe Pb W O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n0.000000 0.000000 0.000000 W\n0.755870 0.244130 0.244130 O\n0.244130 0.755870 0.755870 O\n0.244130 0.755870 0.244130 O\n0.755870 0.244130 0.755870 O\n0.244130 0.244130 0.755870 O\n0.755870 0.755870 0.244130 O\n","nsites":10,"nelements":4,"elements":["Fe","Pb","W","O"],"chemical_system":"Fe-O-Pb-W","density":9.658585973957866,"density_atomic":0.07754540280273137,"volume":128.95670972835248,"volume_molar":7.765954579306,"formula_full":"Fe1 Pb2 W1 O6","formula_reduced":"FePb2WO6","formula_anonymous":"ABC2D6","energy":-75.68776322000001,"energy_per_atom":-7.568776322000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.87176322,"band_gap":2.3575,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0005472,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.297000Z","spacegroup":225},{"id":"mp-1394183","created_at":"2022-09-04T14:45:42.639492Z","structure_string":"Mn2 Zn4 N4\n1.0\n1.828954 5.785847 0.000000\n-1.828954 5.785847 0.000000\n0.000000 4.274554 6.092890\nMn Zn N\n2 4 4\ndirect\n0.634508 0.634508 0.873725 Mn\n0.365492 0.365492 0.126275 Mn\n0.326919 0.326919 0.787293 Zn\n0.673081 0.673081 0.212707 Zn\n0.944901 0.944901 0.346000 Zn\n0.055099 0.055099 0.654000 Zn\n0.830969 0.830969 0.669653 N\n0.169031 0.169031 0.330347 N\n0.501374 0.501374 0.805697 N\n0.498626 0.498626 0.194303 N\n","nsites":10,"nelements":3,"elements":["Mn","Zn","N"],"chemical_system":"Mn-N-Zn","density":5.5055620530257725,"density_atomic":0.07754913163032616,"volume":128.950509048504,"volume_molar":7.765581165637446,"formula_full":"Mn2 Zn4 N4","formula_reduced":"Mn(ZnN)2","formula_anonymous":"AB2C2","energy":-57.16515393,"energy_per_atom":-5.716515393,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.72115393,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.8598415,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.885000Z","spacegroup":12},{"id":"mp-7228","created_at":"2022-09-04T14:41:06.427476Z","structure_string":"Re4 O8\n1.0\n4.629759 0.000000 0.000000\n0.000000 4.886105 0.000000\n0.000000 0.000000 5.700275\nRe O\n4 8\ndirect\n0.250000 0.500000 0.607526 Re\n0.750000 0.000000 0.892474 Re\n0.750000 0.500000 0.392474 Re\n0.250000 0.000000 0.107526 Re\n0.591362 0.242539 0.640390 O\n0.091362 0.257461 0.859610 O\n0.408638 0.742539 0.859610 O\n0.908638 0.757461 0.640390 O\n0.091362 0.242539 0.359610 O\n0.591362 0.257461 0.140390 O\n0.908638 0.742539 0.140390 O\n0.408638 0.757461 0.359610 O\n","nsites":12,"nelements":2,"elements":["Re","O"],"chemical_system":"O-Re","density":11.239795013626262,"density_atomic":0.09306025922637466,"volume":128.94870592192615,"volume_molar":6.471227149014039,"formula_full":"Re4 O8","formula_reduced":"ReO2","formula_anonymous":"AB2","energy":-112.11885407,"energy_per_atom":-9.343237839166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.62285407,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006753,"is_theoretical":false,"updated_at":"2021-11-28T01:35:12.560000Z","spacegroup":60},{"id":"mp-1206280","created_at":"2022-09-04T14:43:53.377158Z","structure_string":"Li3 Y1 Sb2\n1.0\n2.279593 -3.948370 0.000000\n2.279593 3.948370 0.000000\n0.000000 0.000000 7.163156\nLi Y Sb\n3 1 2\ndirect\n0.333333 0.666667 0.653851 Li\n0.666667 0.333333 0.346149 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.248545 Sb\n0.666667 0.333333 0.751455 Sb\n","nsites":6,"nelements":3,"elements":["Li","Y","Sb"],"chemical_system":"Li-Sb-Y","density":4.5490456073055645,"density_atomic":0.04653092512032962,"volume":128.94650137481506,"volume_molar":12.942233029811161,"formula_full":"Li3 Y1 Sb2","formula_reduced":"Li3YSb2","formula_anonymous":"AB2C3","energy":-25.800558450000004,"energy_per_atom":-4.300093075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.416558450000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003057,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.632000Z","spacegroup":164},{"id":"mp-1520563","created_at":"2022-09-04T14:43:51.359478Z","structure_string":"Nd1 Eu1 Mn1 Fe1 O6\n1.0\n-0.000000 -4.009790 -4.009790\n4.009790 -0.000000 -4.009790\n4.009790 -4.009790 -0.000000\nNd Eu Mn Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 -0.000000 Fe\n0.748528 0.251472 0.251472 O\n0.251472 0.748528 0.748528 O\n0.748528 0.251472 0.748528 O\n0.251472 0.748528 0.251472 O\n0.748528 0.748528 0.251472 O\n0.251472 0.251472 0.748528 O\n","nsites":10,"nelements":5,"elements":["Nd","Eu","Mn","Fe","O"],"chemical_system":"Eu-Fe-Mn-Nd-O","density":6.477533004524161,"density_atomic":0.07755416370799904,"volume":128.94214213502744,"volume_molar":7.765077298330622,"formula_full":"Nd1 Eu1 Mn1 Fe1 O6","formula_reduced":"NdEuMnFeO6","formula_anonymous":"ABCDE6","energy":-88.24884238000001,"energy_per_atom":-8.824884238000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.20284238,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.9997362,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.505000Z","spacegroup":216},{"id":"mp-1185811","created_at":"2022-09-04T14:41:54.628564Z","structure_string":"Mg5 Ge1\n1.0\n5.314368 -2.707044 0.000000\n5.314368 2.707044 0.000000\n3.935448 0.000000 4.481389\nMg Ge\n5 1\ndirect\n0.161155 0.838845 0.500000 Mg\n0.500000 0.161155 0.838845 Mg\n0.838845 0.500000 0.161155 Mg\n0.332892 0.332892 0.332892 Mg\n0.667108 0.667108 0.667108 Mg\n0.000000 0.000000 0.000000 Ge\n","nsites":6,"nelements":2,"elements":["Mg","Ge"],"chemical_system":"Ge-Mg","density":2.5005207680597943,"density_atomic":0.04653306634181222,"volume":128.94056789480706,"volume_molar":12.941637492281084,"formula_full":"Mg5 Ge1","formula_reduced":"Mg5Ge","formula_anonymous":"AB5","energy":-12.72754158,"energy_per_atom":-2.12125693,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.72754158,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017899,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.983000Z","spacegroup":155},{"id":"mp-557023","created_at":"2022-09-04T14:39:18.497244Z","structure_string":"Nb1 V1 F6\n1.0\n5.077432 -2.779748 0.000000\n5.077432 2.779748 0.000000\n3.555599 0.000000 4.567825\nNb V F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 V\n0.257270 0.826788 0.663685 F\n0.663685 0.257270 0.826788 F\n0.173212 0.336315 0.742730 F\n0.336315 0.742730 0.173212 F\n0.742730 0.173212 0.336315 F\n0.826788 0.663685 0.257270 F\n","nsites":8,"nelements":3,"elements":["Nb","V","F"],"chemical_system":"F-Nb-V","density":3.3205309320676033,"density_atomic":0.0620441718388609,"volume":128.940394607528,"volume_molar":9.706215074705982,"formula_full":"Nb1 V1 F6","formula_reduced":"NbVF6","formula_anonymous":"ABC6","energy":-55.97319155,"energy_per_atom":-6.99664894375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.50119155,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0001398,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.407000Z","spacegroup":148},{"id":"mp-989455","created_at":"2022-09-04T14:39:27.128084Z","structure_string":"La2 W2 N6\n1.0\n4.872821 -2.848648 0.000000\n4.872821 2.848648 0.000000\n3.207503 0.000000 4.644470\nLa W N\n2 2 6\ndirect\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.301202 0.750000 0.198798 N\n0.198798 0.301202 0.750000 N\n0.698798 0.250000 0.801202 N\n0.250000 0.801202 0.698798 N\n0.750000 0.198798 0.301202 N\n0.801202 0.698798 0.250000 N\n","nsites":10,"nelements":3,"elements":["La","W","N"],"chemical_system":"La-N-W","density":9.39523242077489,"density_atomic":0.07755585612202183,"volume":128.93932837601054,"volume_molar":7.764907849801976,"formula_full":"La2 W2 N6","formula_reduced":"LaWN3","formula_anonymous":"ABC3","energy":-97.69006789,"energy_per_atom":-9.769006788999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.52406789,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.119000Z","spacegroup":167}]}