{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=89","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=87","results":[{"id":"mp-984695","created_at":"2022-09-04T14:43:11.909290Z","structure_string":"Pm1 Y1\n1.0\n1.833004 -3.174857 0.000000\n1.833004 3.174857 0.000000\n0.000000 0.000000 5.825708\nPm Y\n1 1\ndirect\n0.000000 0.000000 0.500000 Pm\n0.666667 0.333333 0.000000 Y\n","nsites":2,"nelements":2,"elements":["Pm","Y"],"chemical_system":"Pm-Y","density":5.728275421203533,"density_atomic":0.029496039462422352,"volume":67.80571346020808,"volume_molar":20.416777539479988,"formula_full":"Pm1 Y1","formula_reduced":"PmY","formula_anonymous":"AB","energy":-11.17519657,"energy_per_atom":-5.587598285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.17519657,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007494,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.697000Z","spacegroup":187},{"id":"mp-984682","created_at":"2022-09-04T14:39:10.935864Z","structure_string":"Ce2 Mg1 Al1\n1.0\n0.000000 3.744079 3.744079\n3.744079 0.000000 3.744079\n3.744079 3.744079 0.000000\nCe Mg Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n","nsites":4,"nelements":3,"elements":["Ce","Mg","Al"],"chemical_system":"Al-Ce-Mg","density":5.244352917799456,"density_atomic":0.03810614225121849,"volume":104.96995402026283,"volume_molar":15.803595967018767,"formula_full":"Ce2 Mg1 Al1","formula_reduced":"Ce2MgAl","formula_anonymous":"ABC2","energy":-17.58989949,"energy_per_atom":-4.3974748725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.58989949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8366996,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.240000Z","spacegroup":225},{"id":"mp-984660","created_at":"2022-09-04T14:48:04.646251Z","structure_string":"Dy2 In1 Hg1\n1.0\n0.000000 3.750867 3.750867\n3.750867 0.000000 3.750867\n3.750867 3.750867 0.000000\nDy In Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Dy","In","Hg"],"chemical_system":"Dy-Hg-In","density":10.075830553083865,"density_atomic":0.03789963266264552,"volume":105.54192003930592,"volume_molar":15.889707463934123,"formula_full":"Dy2 In1 Hg1","formula_reduced":"Dy2InHg","formula_anonymous":"ABC2","energy":-14.12726559,"energy_per_atom":-3.5318163975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.12726559,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0552785,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.974000Z","spacegroup":225},{"id":"mp-984635","created_at":"2022-09-04T14:43:05.343128Z","structure_string":"Li8 Er8 Sn8\n1.0\n4.671363 -8.091038 0.000000\n4.671363 8.091038 0.000000\n0.000000 0.000000 7.258105\nLi Er Sn\n8 8 8\ndirect\n0.166746 0.333492 0.211746 Li\n0.166746 0.833254 0.211746 Li\n0.666508 0.833254 0.211746 Li\n0.666667 0.333333 0.331284 Li\n0.833254 0.666508 0.711746 Li\n0.333492 0.166746 0.711746 Li\n0.833254 0.166746 0.711746 Li\n0.333333 0.666667 0.831284 Li\n0.000000 0.000000 0.999699 Er\n0.512340 0.024680 0.006040 Er\n0.512340 0.487660 0.006040 Er\n0.975320 0.487660 0.006040 Er\n0.000000 0.000000 0.499699 Er\n0.487660 0.975320 0.506040 Er\n0.024680 0.512340 0.506040 Er\n0.487660 0.512340 0.506040 Er\n0.333333 0.666667 0.238047 Sn\n0.833010 0.666021 0.268868 Sn\n0.333979 0.166990 0.268868 Sn\n0.833010 0.166990 0.268868 Sn\n0.666667 0.333333 0.738047 Sn\n0.166990 0.333979 0.768868 Sn\n0.166990 0.833010 0.768868 Sn\n0.666021 0.833010 0.768868 Sn\n","nsites":24,"nelements":3,"elements":["Li","Er","Sn"],"chemical_system":"Er-Li-Sn","density":7.092056446495757,"density_atomic":0.04374315886800278,"volume":548.657221405094,"volume_molar":13.767045901216505,"formula_full":"Li8 Er8 Sn8","formula_reduced":"LiErSn","formula_anonymous":"ABC","energy":-99.12920765,"energy_per_atom":-4.130383652083333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.12920765,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030586,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.823000Z","spacegroup":186},{"id":"mp-984632","created_at":"2022-09-04T14:45:57.590394Z","structure_string":"Ca1 Be1 O3\n1.0\n3.614908 0.000000 0.000000\n0.000000 3.614908 0.000000\n0.000000 0.000000 3.614908\nCa Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ca","Be","O"],"chemical_system":"Be-Ca-O","density":3.4129082585079917,"density_atomic":0.10584692790948086,"volume":47.238026636691295,"volume_molar":5.689480912615688,"formula_full":"Ca1 Be1 O3","formula_reduced":"CaBeO3","formula_anonymous":"ABC3","energy":-31.74623061,"energy_per_atom":-6.349246122,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.68523061,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0069434,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.995000Z","spacegroup":221},{"id":"mp-984629","created_at":"2022-09-04T14:46:53.453254Z","structure_string":"Cr3 Cd1 Te4\n1.0\n6.355502 0.000000 0.000000\n0.000000 6.355502 0.000000\n0.000000 0.000000 6.355502\nCr Cd Te\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cd\n0.262059 0.262059 0.262059 Te\n0.737941 0.737941 0.262059 Te\n0.262059 0.737941 0.737941 Te\n0.737941 0.262059 0.737941 Te\n","nsites":8,"nelements":3,"elements":["Cr","Cd","Te"],"chemical_system":"Cd-Cr-Te","density":5.0376161290739,"density_atomic":0.031163082385526807,"volume":256.7140150332328,"volume_molar":19.32459916993605,"formula_full":"Cr3 Cd1 Te4","formula_reduced":"Cr3CdTe4","formula_anonymous":"AB3C4","energy":-44.146401350000005,"energy_per_atom":-5.518300168750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.45840135,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.583000Z","spacegroup":215},{"id":"mp-984628","created_at":"2022-09-04T14:41:13.784478Z","structure_string":"Ca1 B1 O3\n1.0\n3.479680 0.000000 0.000000\n0.000000 3.479680 0.000000\n0.000000 0.000000 3.479680\nCa B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ca","B","O"],"chemical_system":"B-Ca-O","density":3.8973665776244015,"density_atomic":0.11867304429635235,"volume":42.13256708502324,"volume_molar":5.074564991323056,"formula_full":"Ca1 B1 O3","formula_reduced":"CaBO3","formula_anonymous":"ABC3","energy":-33.6335767,"energy_per_atom":-6.72671534,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.5725767,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0337239,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.488000Z","spacegroup":221},{"id":"mp-984627","created_at":"2022-09-04T14:47:10.711936Z","structure_string":"Dy2 Zn1 Hg1\n1.0\n0.000000 3.660447 3.660447\n3.660447 0.000000 3.660447\n3.660447 3.660447 0.000000\nDy Zn Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Dy","Zn","Hg"],"chemical_system":"Dy-Hg-Zn","density":10.004686368368473,"density_atomic":0.04077816009217554,"volume":98.09172338718427,"volume_molar":14.768054140715192,"formula_full":"Dy2 Zn1 Hg1","formula_reduced":"Dy2ZnHg","formula_anonymous":"ABC2","energy":-12.3637772,"energy_per_atom":-3.0909443,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.3637772,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0191864,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.205000Z","spacegroup":225},{"id":"mp-984614","created_at":"2022-09-04T14:44:53.064732Z","structure_string":"Au3 Br1\n1.0\n-2.101616 2.101616 4.484391\n2.101616 -2.101616 4.484391\n2.101616 2.101616 -4.484391\nAu Br\n3 1\ndirect\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Br\n","nsites":4,"nelements":2,"elements":["Au","Br"],"chemical_system":"Au-Br","density":14.059645013161123,"density_atomic":0.05048818928733093,"volume":79.22644991753992,"volume_molar":11.927820832962896,"formula_full":"Au3 Br1","formula_reduced":"Au3Br","formula_anonymous":"AB3","energy":-10.57152872,"energy_per_atom":-2.64288218,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.03752872,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.85e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.294000Z","spacegroup":139},{"id":"mp-984612","created_at":"2022-09-04T14:45:12.496210Z","structure_string":"Be6 Ru2\n1.0\n2.399950 -4.156835 0.000000\n2.399950 4.156835 0.000000\n0.000000 0.000000 3.751918\nBe Ru\n6 2\ndirect\n0.160696 0.321392 0.250000 Be\n0.678608 0.839304 0.250000 Be\n0.160696 0.839304 0.250000 Be\n0.839304 0.678608 0.750000 Be\n0.321392 0.160696 0.750000 Be\n0.839304 0.160696 0.750000 Be\n0.333333 0.666667 0.750000 Ru\n0.666667 0.333333 0.250000 Ru\n","nsites":8,"nelements":2,"elements":["Be","Ru"],"chemical_system":"Be-Ru","density":5.683319890623099,"density_atomic":0.10686652148834862,"volume":74.85973987533804,"volume_molar":5.635198634828382,"formula_full":"Be6 Ru2","formula_reduced":"Be3Ru","formula_anonymous":"AB3","energy":-43.57895923,"energy_per_atom":-5.44736990375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.57895923,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.71e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.457000Z","spacegroup":194},{"id":"mp-984605","created_at":"2022-09-04T14:41:19.195680Z","structure_string":"Ca6 Sn2 H4\n1.0\n4.436105 -5.693455 0.000000\n4.436105 5.693455 0.000000\n0.000000 0.000000 5.268069\nCa Sn H\n6 2 4\ndirect\n0.890117 0.109883 0.250000 Ca\n0.407496 0.185884 0.250000 Ca\n0.185884 0.407496 0.750000 Ca\n0.814116 0.592504 0.250000 Ca\n0.592504 0.814116 0.750000 Ca\n0.109883 0.890117 0.750000 Ca\n0.692400 0.307600 0.750000 Sn\n0.307600 0.692400 0.250000 Sn\n0.150972 0.150972 0.000000 H\n0.150972 0.150972 0.500000 H\n0.849028 0.849028 0.000000 H\n0.849028 0.849028 0.500000 H\n","nsites":12,"nelements":3,"elements":["Ca","Sn","H"],"chemical_system":"Ca-H-Sn","density":3.0072163336209954,"density_atomic":0.04509434532361605,"volume":266.108752968536,"volume_molar":13.35453639870493,"formula_full":"Ca6 Sn2 H4","formula_reduced":"Ca3SnH2","formula_anonymous":"AB2C3","energy":-41.894973740000005,"energy_per_atom":-3.491247811666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.17897374,"band_gap":0.1117999999999996,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0122797,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.639000Z","spacegroup":63},{"id":"mp-984604","created_at":"2022-09-04T14:45:42.799149Z","structure_string":"Ti4 P4 H4 O20\n1.0\n7.073504 0.000000 0.000000\n0.000000 7.452312 0.000000\n0.000000 3.433364 6.687693\nTi P H O\n4 4 4 20\ndirect\n0.723232 0.718631 0.529490 Ti\n0.223232 0.281369 0.470510 Ti\n0.226856 0.719174 0.025498 Ti\n0.726856 0.280826 0.974502 Ti\n0.356996 0.999922 0.249329 P\n0.856996 0.000078 0.750671 P\n0.616618 0.498713 0.251365 P\n0.116618 0.501287 0.748635 P\n0.461599 0.947391 0.692208 H\n0.961599 0.052609 0.307792 H\n0.443572 0.067931 0.810946 H\n0.943572 0.932069 0.189054 H\n0.363849 0.002625 0.748610 O\n0.863849 0.997375 0.251390 O\n0.647637 0.499384 0.752613 O\n0.147637 0.500616 0.247387 O\n0.489125 0.331366 0.406283 O\n0.989125 0.668634 0.593717 O\n0.484108 0.164279 0.090625 O\n0.984108 0.835721 0.909375 O\n0.223686 0.090088 0.351499 O\n0.723686 0.909912 0.648501 O\n0.745657 0.405757 0.149406 O\n0.245657 0.594243 0.850594 O\n0.482369 0.836614 0.410596 O\n0.982369 0.163386 0.589404 O\n0.491851 0.666449 0.092213 O\n0.991851 0.333551 0.907787 O\n0.241885 0.408846 0.643988 O\n0.741885 0.591154 0.356012 O\n0.728654 0.090512 0.855985 O\n0.228654 0.909488 0.144015 O\n","nsites":32,"nelements":4,"elements":["Ti","P","H","O"],"chemical_system":"H-O-P-Ti","density":3.011674912333978,"density_atomic":0.09077118758790795,"volume":352.5347728761331,"volume_molar":6.634418828295948,"formula_full":"Ti4 P4 H4 O20","formula_reduced":"TiPHO5","formula_anonymous":"ABCD5","energy":-254.12669051,"energy_per_atom":-7.9414590784375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.38669051,"band_gap":2.7707,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003398,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.394000Z","spacegroup":4}]}