{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=93","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=91","results":[{"id":"mp-1185432","created_at":"2022-09-04T14:39:26.726954Z","structure_string":"Li1 Zn1 Cd2\n1.0\n0.000000 3.303506 3.303506\n3.303506 0.000000 3.303506\n3.303506 3.303506 0.000000\nLi Zn Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n","nsites":4,"nelements":3,"elements":["Li","Zn","Cd"],"chemical_system":"Cd-Li-Zn","density":6.843869017406848,"density_atomic":0.055475943332574884,"volume":72.10332550850455,"volume_molar":10.855409386907825,"formula_full":"Li1 Zn1 Cd2","formula_reduced":"LiZnCd2","formula_anonymous":"ABC2","energy":-5.63274844,"energy_per_atom":-1.40818711,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.63274844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006059,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.354000Z","spacegroup":225},{"id":"mp-974627","created_at":"2022-09-04T14:47:43.993207Z","structure_string":"K3 Tl1\n1.0\n5.906420 0.000000 0.000000\n0.000000 5.906420 0.000000\n0.000000 0.000000 5.906420\nK Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tl\n","nsites":4,"nelements":2,"elements":["K","Tl"],"chemical_system":"K-Tl","density":2.5923745510613614,"density_atomic":0.019412747838713815,"volume":206.05017039488928,"volume_molar":31.0215782435002,"formula_full":"K3 Tl1","formula_reduced":"K3Tl","formula_anonymous":"AB3","energy":-5.63942527,"energy_per_atom":-1.4098563175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.63942527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0151086,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.058000Z","spacegroup":221},{"id":"mp-977194","created_at":"2022-09-04T14:46:24.909079Z","structure_string":"Na3 Be1\n1.0\n-2.334279 2.334279 4.736736\n2.334279 -2.334279 4.736736\n2.334279 2.334279 -4.736736\nNa Be\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Be\n","nsites":4,"nelements":2,"elements":["Na","Be"],"chemical_system":"Be-Na","density":1.254284132301364,"density_atomic":0.03874496686770969,"volume":103.23921591306423,"volume_molar":15.54302725451262,"formula_full":"Na3 Be1","formula_reduced":"Na3Be","formula_anonymous":"AB3","energy":-5.6396148,"energy_per_atom":-1.4099037,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.6396148,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0079698,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.950000Z","spacegroup":139},{"id":"mp-1093552","created_at":"2022-09-04T14:47:00.838446Z","structure_string":"Mg2 Cd1 Pt1\n1.0\n-5.229674 5.918513 8.344034\n5.229674 -5.918513 8.344034\n5.229674 5.918513 -8.344034\nMg Cd Pt\n2 1 1\ndirect\n0.000000 0.268892 0.268892 Mg\n0.000000 0.731108 0.731108 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Mg","Cd","Pt"],"chemical_system":"Cd-Mg-Pt","density":0.572405620485158,"density_atomic":0.0038720121532334643,"volume":1033.05460874126,"volume_molar":155.53000666516485,"formula_full":"Mg2 Cd1 Pt1","formula_reduced":"Mg2CdPt","formula_anonymous":"ABC2","energy":-5.63971305,"energy_per_atom":-1.4099282625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.63971305,"band_gap":0.0735999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.22e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.411000Z","spacegroup":71},{"id":"mp-1057320","created_at":"2022-09-04T14:46:02.120487Z","structure_string":"Ni1 Hg1\n1.0\n3.101697 0.000000 0.000000\n0.000000 3.101697 0.000000\n0.000000 0.000000 3.258154\nNi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Hg\n","nsites":2,"nelements":2,"elements":["Ni","Hg"],"chemical_system":"Hg-Ni","density":13.735784312124743,"density_atomic":0.06380572501378863,"volume":31.345149664356818,"volume_molar":9.438245171101176,"formula_full":"Ni1 Hg1","formula_reduced":"NiHg","formula_anonymous":"AB","energy":-5.64531834,"energy_per_atom":-2.82265917,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.64531834,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005716,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.411000Z","spacegroup":123},{"id":"mp-974641","created_at":"2022-09-04T14:43:59.212240Z","structure_string":"K3 Tl1\n1.0\n0.000000 4.675046 4.675046\n4.675046 0.000000 4.675046\n4.675046 4.675046 0.000000\nK Tl\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tl\n","nsites":4,"nelements":2,"elements":["K","Tl"],"chemical_system":"K-Tl","density":2.613864475358456,"density_atomic":0.019573673072793802,"volume":204.356125961854,"volume_molar":30.76653389276438,"formula_full":"K3 Tl1","formula_reduced":"K3Tl","formula_anonymous":"AB3","energy":-5.64670236,"energy_per_atom":-1.41167559,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.64670236,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.08733,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.508000Z","spacegroup":225},{"id":"mp-1008","created_at":"2022-09-04T14:42:49.248878Z","structure_string":"Ni1 Hg1\n1.0\n3.152354 0.000000 0.000000\n0.000000 3.152354 0.000000\n0.000000 0.000000 3.152354\nNi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Hg\n","nsites":2,"nelements":2,"elements":["Ni","Hg"],"chemical_system":"Hg-Ni","density":13.744181000157882,"density_atomic":0.06384472946781142,"volume":31.326000073480454,"volume_molar":9.43247909451348,"formula_full":"Ni1 Hg1","formula_reduced":"NiHg","formula_anonymous":"AB","energy":-5.64675591,"energy_per_atom":-2.823377955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.64675591,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.56e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.402000Z","spacegroup":221},{"id":"mp-1097424","created_at":"2022-09-04T14:46:25.142375Z","structure_string":"Y1 Zn2 Ag1\n1.0\n-5.736728 5.890208 8.199925\n5.736728 -5.890208 8.199925\n5.736728 5.890208 -8.199925\nY Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.275217 0.275217 Zn\n0.000000 0.724783 0.724783 Zn\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Y","Zn","Ag"],"chemical_system":"Ag-Y-Zn","density":0.49081484491384736,"density_atomic":0.003609069370505426,"volume":1108.3189568727594,"volume_molar":166.86131913160315,"formula_full":"Y1 Zn2 Ag1","formula_reduced":"YZn2Ag","formula_anonymous":"ABC2","energy":-5.64694633,"energy_per_atom":-1.4117365825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.64694633,"band_gap":0.3673000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.78e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.109000Z","spacegroup":71},{"id":"mp-10597","created_at":"2022-09-04T14:46:42.507441Z","structure_string":"Ag2\n1.0\n1.476324 -2.557068 0.000000\n1.476324 2.557068 0.000000\n0.000000 0.000000 4.798321\nAg\n2\ndirect\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n","nsites":2,"nelements":1,"elements":["Ag"],"chemical_system":"Ag","density":9.888473947036914,"density_atomic":0.05520605890450403,"volume":36.22790758274593,"volume_molar":10.908477945178365,"formula_full":"Ag2","formula_reduced":"Ag","formula_anonymous":"A","energy":-5.6500297,"energy_per_atom":-2.82501485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.6500297,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.24e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.726000Z","spacegroup":194},{"id":"mp-865814","created_at":"2022-09-04T14:41:07.922965Z","structure_string":"Yb1 Mg1 Hg2\n1.0\n0.000000 3.614938 3.614938\n3.614938 0.000000 3.614938\n3.614938 3.614938 0.000000\nYb Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n","nsites":4,"nelements":3,"elements":["Yb","Mg","Hg"],"chemical_system":"Hg-Mg-Yb","density":10.519590588603611,"density_atomic":0.042337717077171225,"volume":94.47840545367588,"volume_molar":14.224056410559694,"formula_full":"Yb1 Mg1 Hg2","formula_reduced":"YbMgHg2","formula_anonymous":"ABC2","energy":-5.65390588,"energy_per_atom":-1.41347647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.65390588,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035591,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.766000Z","spacegroup":225},{"id":"mp-1228677","created_at":"2022-09-04T14:43:24.947112Z","structure_string":"Au1 Cl1\n1.0\n-2.248431 2.710159 -2.857094\n2.248431 -2.647168 -2.746518\n-2.248431 -2.647168 -2.746518\nAu Cl\n1 1\ndirect\n0.003874 0.103116 0.099242 Au\n0.056126 0.706884 0.650758 Cl\n","nsites":2,"nelements":2,"elements":["Au","Cl"],"chemical_system":"Au-Cl","density":5.719088122615026,"density_atomic":0.029637051521366475,"volume":67.48309623709106,"volume_molar":20.319635223019436,"formula_full":"Au1 Cl1","formula_reduced":"AuCl","formula_anonymous":"AB","energy":-5.65457975,"energy_per_atom":-2.827289875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.04057975,"band_gap":1.296,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.08e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.824000Z","spacegroup":8},{"id":"mp-1205873","created_at":"2022-09-04T14:42:08.274408Z","structure_string":"Mg2 Hg6\n1.0\n2.540731 -4.400675 0.000000\n2.540731 4.400675 0.000000\n0.000000 0.000000 9.066713\nMg Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.573997 Hg\n0.666667 0.333333 0.426003 Hg\n0.666667 0.333333 0.073997 Hg\n0.333333 0.666667 0.926003 Hg\n0.000000 0.000000 0.250000 Hg\n0.000000 0.000000 0.750000 Hg\n","nsites":8,"nelements":2,"elements":["Mg","Hg"],"chemical_system":"Hg-Mg","density":10.255282028775238,"density_atomic":0.03945773393419342,"volume":202.74859203374913,"volume_molar":15.26225700148815,"formula_full":"Mg2 Hg6","formula_reduced":"MgHg3","formula_anonymous":"AB3","energy":-5.65540184,"energy_per_atom":-0.70692523,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.65540184,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.29e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.202000Z","spacegroup":194}]}