{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10131","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10129","results":[{"id":"mp-1025001","created_at":"2022-09-04T14:48:09.656406Z","structure_string":"Er1 Ni4 Au1\n1.0\n0.000000 3.472655 3.472655\n3.472655 0.000000 3.472655\n3.472655 3.472655 0.000000\nEr Ni Au\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.625611 0.625611 0.625611 Ni\n0.625611 0.625611 0.123168 Ni\n0.625611 0.123168 0.625611 Ni\n0.123168 0.625611 0.625611 Ni\n0.000000 0.000000 0.000000 Au\n","nsites":6,"nelements":3,"elements":["Er","Ni","Au"],"chemical_system":"Au-Er-Ni","density":11.875732420949735,"density_atomic":0.07163682621913929,"volume":83.75580433513082,"volume_molar":8.4064873862196,"formula_full":"Er1 Ni4 Au1","formula_reduced":"ErNi4Au","formula_anonymous":"ABC4","energy":-33.38845965,"energy_per_atom":-5.5647432750000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.38845965,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2082444,"is_theoretical":false,"updated_at":"2021-11-28T01:38:27.600000Z","spacegroup":216},{"id":"mp-1185816","created_at":"2022-09-04T14:48:04.502735Z","structure_string":"Mg5 Pd1\n1.0\n2.671538 -4.627239 0.000000\n2.671538 4.627239 0.000000\n0.000000 0.000000 4.816268\nMg Pd\n5 1\ndirect\n0.315007 0.000000 0.500000 Mg\n0.684993 0.684993 0.500000 Mg\n0.000000 0.315007 0.500000 Mg\n0.333333 0.666667 0.000000 Mg\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.000000 Pd\n","nsites":6,"nelements":2,"elements":["Mg","Pd"],"chemical_system":"Mg-Pd","density":3.1787417011717056,"density_atomic":0.050388023349720035,"volume":119.07591528956726,"volume_molar":11.951532049993505,"formula_full":"Mg5 Pd1","formula_reduced":"Mg5Pd","formula_anonymous":"AB5","energy":-14.63060058,"energy_per_atom":-2.43843343,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.63060058,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013063,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.465000Z","spacegroup":189},{"id":"mp-1018651","created_at":"2022-09-04T14:48:14.004378Z","structure_string":"Ba2 H3 I1\n1.0\n2.268380 -3.928949 0.000000\n2.268380 3.928949 0.000000\n0.000000 0.000000 8.167979\nBa H I\n2 3 1\ndirect\n0.666667 0.333333 0.684470 Ba\n0.333333 0.666667 0.315530 Ba\n0.666667 0.333333 0.355946 H\n0.333333 0.666667 0.644054 H\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 I\n","nsites":6,"nelements":3,"elements":["Ba","H","I"],"chemical_system":"Ba-H-I","density":4.614441627691099,"density_atomic":0.0412111222471392,"volume":145.59176437900837,"volume_molar":14.61290164311904,"formula_full":"Ba2 H3 I1","formula_reduced":"Ba2H3I","formula_anonymous":"AB2C3","energy":-21.63120003,"energy_per_atom":-3.605200005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.71520003,"band_gap":2.2391,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003184,"is_theoretical":false,"updated_at":"2021-11-28T01:38:35.580000Z","spacegroup":164},{"id":"mp-1206232","created_at":"2022-09-04T14:48:10.079041Z","structure_string":"Nd2 Cd1 Sb3\n1.0\n9.108975 0.000000 0.000000\n0.000000 9.108975 0.000000\n0.000000 0.000000 41.011323\nNd Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242870 Nd\n0.500000 0.500000 0.757130 Nd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.690898 Sb\n0.500000 0.500000 0.309102 Sb\n0.500000 0.500000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Nd","Cd","Sb"],"chemical_system":"Cd-Nd-Sb","density":0.37388175674075,"density_atomic":0.001763227905478751,"volume":3402.8499556731335,"volume_molar":341.54069030372284,"formula_full":"Nd2 Cd1 Sb3","formula_reduced":"Nd2CdSb3","formula_anonymous":"AB2C3","energy":-11.8522232,"energy_per_atom":-1.9753705333333331,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.2762232,"band_gap":0.1359000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.1427472,"is_theoretical":true,"updated_at":"2021-11-28T01:38:33.257000Z","spacegroup":123},{"id":"mp-1226721","created_at":"2022-09-04T14:48:11.995492Z","structure_string":"Ce1 Fe1 Ni4\n1.0\n2.475105 -4.287008 0.000000\n2.475105 4.287008 0.000000\n0.000000 0.000000 4.061666\nCe Fe Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Ni\n0.999915 0.499957 0.500000 Ni\n0.500043 0.499957 0.500000 Ni\n0.500043 0.000085 0.500000 Ni\n","nsites":6,"nelements":3,"elements":["Ce","Fe","Ni"],"chemical_system":"Ce-Fe-Ni","density":8.2980630809152,"density_atomic":0.06960959801125784,"volume":86.19501004774702,"volume_molar":8.651308055285782,"formula_full":"Ce1 Fe1 Ni4","formula_reduced":"CeFeNi4","formula_anonymous":"ABC4","energy":-38.58411037,"energy_per_atom":-6.430685061666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.58411037,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1228809,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.684000Z","spacegroup":187},{"id":"mp-31148","created_at":"2022-09-04T14:48:15.723474Z","structure_string":"Ba2 Zn2 Sn2\n1.0\n2.373018 -4.110188 0.000000\n2.373018 4.110188 0.000000\n0.000000 0.000000 10.001122\nBa Zn Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.750000 Zn\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n","nsites":6,"nelements":3,"elements":["Ba","Zn","Sn"],"chemical_system":"Ba-Sn-Zn","density":5.47199483513793,"density_atomic":0.030754580688434303,"volume":195.092889114121,"volume_molar":19.581280658671805,"formula_full":"Ba2 Zn2 Sn2","formula_reduced":"BaZnSn","formula_anonymous":"ABC","energy":-17.5308008,"energy_per_atom":-2.9218001333333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.5308008,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002004,"is_theoretical":false,"updated_at":"2021-11-28T01:38:39.443000Z","spacegroup":194},{"id":"mp-1216764","created_at":"2022-09-04T14:48:12.192445Z","structure_string":"Ti1 V1 Se4\n1.0\n3.467788 0.000000 0.000000\n0.000000 5.998208 0.000000\n0.000000 0.024466 6.434845\nTi V Se\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 V\n0.000000 0.662501 0.758674 Se\n0.500000 0.170553 0.754910 Se\n0.500000 0.829447 0.245090 Se\n0.000000 0.337499 0.241326 Se\n","nsites":6,"nelements":3,"elements":["Ti","V","Se"],"chemical_system":"Se-Ti-V","density":5.1441905198687365,"density_atomic":0.04482694053051606,"volume":133.84808173369504,"volume_molar":13.434199810938273,"formula_full":"Ti1 V1 Se4","formula_reduced":"TiVSe4","formula_anonymous":"ABC4","energy":-38.17597403,"energy_per_atom":-6.362662338333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.28797403,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1170425,"is_theoretical":true,"updated_at":"2021-11-28T01:38:34.563000Z","spacegroup":10},{"id":"mp-1224331","created_at":"2022-09-04T14:48:15.693486Z","structure_string":"Hf4 Ag1 Pd1\n1.0\n3.244010 0.000000 0.000000\n0.000000 3.244010 0.000000\n0.000000 0.000000 11.486723\nHf Ag Pd\n4 1 1\ndirect\n0.500000 0.500000 0.170619 Hf\n0.000000 0.000000 0.653933 Hf\n0.000000 0.000000 0.346067 Hf\n0.500000 0.500000 0.829381 Hf\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Pd\n","nsites":6,"nelements":3,"elements":["Hf","Ag","Pd"],"chemical_system":"Ag-Hf-Pd","density":12.751248114018832,"density_atomic":0.04963530941498805,"volume":120.88168827226488,"volume_molar":12.132775701367006,"formula_full":"Hf4 Ag1 Pd1","formula_reduced":"Hf4AgPd","formula_anonymous":"ABC4","energy":-49.76968412,"energy_per_atom":-8.294947353333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.76968412,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0153304,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.604000Z","spacegroup":123},{"id":"mp-978846","created_at":"2022-09-04T14:48:00.709210Z","structure_string":"Sn2 I4\n1.0\n7.630706 0.000000 0.000000\n0.000000 7.630706 0.000000\n0.000000 0.000000 4.695760\nSn I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.298521 0.298521 0.000000 I\n0.701479 0.701479 0.000000 I\n0.201479 0.798521 0.500000 I\n0.798521 0.201479 0.500000 I\n","nsites":6,"nelements":2,"elements":["Sn","I"],"chemical_system":"I-Sn","density":4.524724251448961,"density_atomic":0.02194400613710631,"volume":273.4231827366414,"volume_molar":27.443214891454275,"formula_full":"Sn2 I4","formula_reduced":"SnI2","formula_anonymous":"AB2","energy":-18.54690757,"energy_per_atom":-3.0911512616666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.03090757,"band_gap":1.1995999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00106,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.892000Z","spacegroup":136},{"id":"mp-1219858","created_at":"2022-09-04T14:48:04.757871Z","structure_string":"Pr2 Si3 Ni1\n1.0\n2.040107 -3.533570 0.000000\n2.040107 3.533570 0.000000\n0.000000 0.000000 8.476128\nPr Si Ni\n2 3 1\ndirect\n0.333333 0.666667 0.241063 Pr\n0.333333 0.666667 0.758937 Pr\n0.666667 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Ni\n","nsites":6,"nelements":3,"elements":["Pr","Si","Ni"],"chemical_system":"Ni-Pr-Si","density":5.771701723500461,"density_atomic":0.04909724273410251,"volume":122.20645530940281,"volume_molar":12.265741260897885,"formula_full":"Pr2 Si3 Ni1","formula_reduced":"Pr2Si3Ni","formula_anonymous":"AB2C3","energy":-35.39512736,"energy_per_atom":-5.899187893333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.60812736,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0163459,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.024000Z","spacegroup":187},{"id":"mp-1216052","created_at":"2022-09-04T14:48:09.708658Z","structure_string":"Y3 Si1 S2\n1.0\n-2.011604 2.816365 5.983899\n2.011604 -2.816365 5.983899\n2.011604 2.816365 -5.983899\nY Si S\n3 1 2\ndirect\n0.835258 0.335258 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.164742 0.664742 0.500000 Y\n0.000000 0.000000 0.000000 Si\n0.666577 0.666577 0.000000 S\n0.333423 0.333423 0.000000 S\n","nsites":6,"nelements":3,"elements":["Y","Si","S"],"chemical_system":"S-Si-Y","density":4.39528328804266,"density_atomic":0.04424615897000678,"volume":135.6049912505904,"volume_molar":13.610539084493727,"formula_full":"Y3 Si1 S2","formula_reduced":"Y3SiS2","formula_anonymous":"AB2C3","energy":-44.02242957,"energy_per_atom":-7.337071595,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.01642957,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0065335,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.539000Z","spacegroup":71},{"id":"mp-1018952","created_at":"2022-09-04T14:48:09.814825Z","structure_string":"Pr2 Zn2 In2\n1.0\n2.379073 -4.120676 0.000000\n2.379073 4.120676 0.000000\n0.000000 0.000000 7.749496\nPr Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n","nsites":6,"nelements":3,"elements":["Pr","Zn","In"],"chemical_system":"In-Pr-Zn","density":7.019183084755445,"density_atomic":0.039488583905115275,"volume":151.94264789076854,"volume_molar":15.25033355075542,"formula_full":"Pr2 Zn2 In2","formula_reduced":"PrZnIn","formula_anonymous":"ABC","energy":-20.25731241,"energy_per_atom":-3.376218735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.25731241,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.93e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:29.625000Z","spacegroup":194}]}