{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=12139","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=12137","results":[{"id":"mp-977242","created_at":"2022-09-04T14:39:39.402826Z","structure_string":"Hg6 Sb2\n1.0\n3.239575 -5.611108 0.000000\n3.239575 5.611108 0.000000\n0.000000 0.000000 5.778561\nHg Sb\n6 2\ndirect\n0.167727 0.335454 0.250000 Hg\n0.664546 0.832273 0.250000 Hg\n0.167727 0.832273 0.250000 Hg\n0.832273 0.664546 0.750000 Hg\n0.335454 0.167727 0.750000 Hg\n0.832273 0.167727 0.750000 Hg\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n","nsites":8,"nelements":2,"elements":["Hg","Sb"],"chemical_system":"Hg-Sb","density":11.437978391191745,"density_atomic":0.03808058596348396,"volume":210.08080095383298,"volume_molar":15.814201928969059,"formula_full":"Hg6 Sb2","formula_reduced":"Hg3Sb","formula_anonymous":"AB3","energy":-9.07435615,"energy_per_atom":-1.13429451875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.69035615,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017768,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.756000Z","spacegroup":194},{"id":"mp-1187088","created_at":"2022-09-04T14:42:55.857188Z","structure_string":"Sn2 Hg6\n1.0\n3.417566 -5.919398 0.000000\n3.417566 5.919398 0.000000\n0.000000 0.000000 5.215254\nSn Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.165547 0.331095 0.250000 Hg\n0.668905 0.834453 0.250000 Hg\n0.165547 0.834453 0.250000 Hg\n0.834453 0.668905 0.750000 Hg\n0.331095 0.165547 0.750000 Hg\n0.834453 0.165547 0.750000 Hg\n","nsites":8,"nelements":2,"elements":["Sn","Hg"],"chemical_system":"Hg-Sn","density":11.33968812672944,"density_atomic":0.03791316794207456,"volume":211.0084815972846,"volume_molar":15.88403472165897,"formula_full":"Sn2 Hg6","formula_reduced":"SnHg3","formula_anonymous":"AB3","energy":-9.07271194,"energy_per_atom":-1.1340889925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.07271194,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009493,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.977000Z","spacegroup":194},{"id":"mp-1185541","created_at":"2022-09-04T14:42:58.448556Z","structure_string":"Cs1 Na3\n1.0\n0.000000 4.731122 4.731122\n4.731122 0.000000 4.731122\n4.731122 4.731122 0.000000\nCs Na\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n","nsites":4,"nelements":2,"elements":["Cs","Na"],"chemical_system":"Cs-Na","density":1.5827367371963954,"density_atomic":0.0188858942702684,"volume":211.79828409275285,"volume_molar":31.886976988325667,"formula_full":"Cs1 Na3","formula_reduced":"CsNa3","formula_anonymous":"AB3","energy":-4.53316365,"energy_per_atom":-1.1332909125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.53316365,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008974,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.656000Z","spacegroup":225},{"id":"mp-1208620","created_at":"2022-09-04T14:47:59.904459Z","structure_string":"Zn24 Si2 Ni8\n1.0\n-15.996837 -15.996837 0.000000\n-15.996837 -0.000000 -15.996837\n0.000000 -15.996837 -15.996837\nZn Si Ni\n24 2 8\ndirect\n0.560286 0.560286 0.189989 Zn\n0.689440 0.189989 0.560286 Zn\n0.189989 0.689440 0.560286 Zn\n0.560286 0.189989 0.560286 Zn\n0.060560 0.189714 0.560011 Zn\n0.189714 0.189714 0.560011 Zn\n0.560286 0.560286 0.689440 Zn\n0.189989 0.560286 0.689440 Zn\n0.189714 0.560011 0.189714 Zn\n0.060560 0.560011 0.189714 Zn\n0.689440 0.560286 0.189989 Zn\n0.189714 0.060560 0.189714 Zn\n0.560011 0.060560 0.189714 Zn\n0.560286 0.689440 0.560286 Zn\n0.560011 0.189714 0.060560 Zn\n0.189714 0.189714 0.060560 Zn\n0.189989 0.560286 0.560286 Zn\n0.560286 0.189989 0.689440 Zn\n0.689440 0.560286 0.560286 Zn\n0.560286 0.689440 0.189989 Zn\n0.189714 0.560011 0.060560 Zn\n0.560011 0.189714 0.189714 Zn\n0.189714 0.060560 0.560011 Zn\n0.060560 0.189714 0.189714 Zn\n-0.000000 -0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Si\n0.787865 0.787865 0.787865 Ni\n0.636404 0.787865 0.787865 Ni\n0.787865 0.636404 0.787865 Ni\n0.113596 0.962135 0.962135 Ni\n0.962135 0.962135 0.962135 Ni\n0.787865 0.787865 0.636404 Ni\n0.962135 0.113596 0.962135 Ni\n0.962135 0.962135 0.113596 Ni\n","nsites":34,"nelements":3,"elements":["Zn","Si","Ni"],"chemical_system":"Ni-Si-Zn","density":0.42502208374103917,"density_atomic":0.0041528530395530325,"volume":8187.142592375334,"volume_molar":145.01213268669284,"formula_full":"Zn24 Si2 Ni8","formula_reduced":"Zn12SiNi4","formula_anonymous":"AB4C12","energy":-38.51056571,"energy_per_atom":-1.1326636973529411,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.51056571,"band_gap":0.2053000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0090468,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.546000Z","spacegroup":227},{"id":"mp-1096163","created_at":"2022-09-04T14:39:28.703027Z","structure_string":"Mg1 Zr1 Hg2\n1.0\n-5.863318 5.945759 8.436935\n5.863318 -5.945759 8.436935\n5.863318 5.945759 -8.436935\nMg Zr Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.247886 0.247886 Hg\n0.000000 0.752114 0.752114 Hg\n","nsites":4,"nelements":3,"elements":["Mg","Zr","Hg"],"chemical_system":"Hg-Mg-Zr","density":0.7292890252541061,"density_atomic":0.00339988749282181,"volume":1176.5095193429809,"volume_molar":177.12764827408438,"formula_full":"Mg1 Zr1 Hg2","formula_reduced":"MgZrHg2","formula_anonymous":"ABC2","energy":-4.52947294,"energy_per_atom":-1.132368235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52947294,"band_gap":0.3073999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7812356,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.695000Z","spacegroup":71},{"id":"mp-1182806","created_at":"2022-09-04T14:45:23.282095Z","structure_string":"K16 Fe4\n1.0\n-6.428810 6.428822 24.936320\n6.428810 -6.428822 24.936320\n6.428822 6.428810 -24.936320\nK Fe\n16 4\ndirect\n0.773093 0.120274 0.009822 K\n0.110452 0.763272 0.990178 K\n0.639548 0.486728 0.509822 K\n0.976907 0.129726 0.490178 K\n0.879726 0.889548 0.652820 K\n0.236728 0.226907 0.347180 K\n0.513272 0.023093 0.152820 K\n0.870274 0.360452 0.847180 K\n0.609176 0.637768 0.354025 K\n0.283742 0.255151 0.645975 K\n0.466258 0.994849 0.854025 K\n0.140824 0.612232 0.145975 K\n0.362232 0.716258 0.971409 K\n0.744849 0.390824 0.028591 K\n0.005151 0.859176 0.471409 K\n0.387768 0.533742 0.528591 K\n0.993234 0.493234 0.500000 Fe\n0.756766 0.756766 0.000000 Fe\n0.506766 0.006766 0.500000 Fe\n0.243234 0.243234 0.000000 Fe\n","nsites":20,"nelements":2,"elements":["K","Fe"],"chemical_system":"Fe-K","density":0.3419623530735992,"density_atomic":0.004851495691024751,"volume":4122.440021331962,"volume_molar":124.12957041559238,"formula_full":"K16 Fe4","formula_reduced":"K4Fe","formula_anonymous":"AB4","energy":-22.63777891,"energy_per_atom":-1.1318889455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.63777891,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9938876,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.926000Z","spacegroup":88},{"id":"mp-1184574","created_at":"2022-09-04T14:45:30.358679Z","structure_string":"Hg3 P1\n1.0\n0.000000 3.586310 3.586310\n3.586310 0.000000 3.586310\n3.586310 3.586310 0.000000\nHg P\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 P\n","nsites":4,"nelements":2,"elements":["Hg","P"],"chemical_system":"Hg-P","density":11.389469410879027,"density_atomic":0.04335972449949221,"volume":92.25150865630718,"volume_molar":13.888789261266007,"formula_full":"Hg3 P1","formula_reduced":"Hg3P","formula_anonymous":"AB3","energy":-4.52703439,"energy_per_atom":-1.1317585975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52703439,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025382,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.562000Z","spacegroup":225},{"id":"mp-1096346","created_at":"2022-09-04T14:42:38.171954Z","structure_string":"Li2 Mg1 Ag1\n1.0\n-5.583944 5.604012 7.886966\n5.583944 -5.604012 7.886966\n5.583944 5.604012 -7.886966\nLi Mg Ag\n2 1 1\ndirect\n0.271065 0.000000 0.271065 Li\n0.728935 0.000000 0.728935 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Li","Mg","Ag"],"chemical_system":"Ag-Li-Mg","density":0.24567222009374184,"density_atomic":0.004051817917438032,"volume":987.2111929771029,"volume_molar":148.62811909889092,"formula_full":"Li2 Mg1 Ag1","formula_reduced":"Li2MgAg","formula_anonymous":"ABC2","energy":-4.52332055,"energy_per_atom":-1.1308301375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52332055,"band_gap":0.4773,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.999899,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.495000Z","spacegroup":71},{"id":"mp-1096192","created_at":"2022-09-04T14:46:08.528655Z","structure_string":"Li1 Mg1 In2\n1.0\n-5.750608 5.890271 8.360420\n5.750608 -5.890271 8.360420\n5.750608 5.890271 -8.360420\nLi Mg In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.245239 0.245239 In\n0.000000 0.754761 0.754761 In\n","nsites":4,"nelements":3,"elements":["Li","Mg","In"],"chemical_system":"In-Li-Mg","density":0.38243363847477796,"density_atomic":0.003531204457264137,"volume":1132.7579720770602,"volume_molar":170.54069887150516,"formula_full":"Li1 Mg1 In2","formula_reduced":"LiMgIn2","formula_anonymous":"ABC2","energy":-4.52215378,"energy_per_atom":-1.130538445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52215378,"band_gap":0.0908999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9995113,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.420000Z","spacegroup":71},{"id":"mp-1096325","created_at":"2022-09-04T14:47:07.641958Z","structure_string":"Y1 Tl1 Hg2\n1.0\n-6.185151 6.286854 8.887899\n6.185151 -6.286854 8.887899\n6.185151 6.286854 -8.887899\nY Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.250028 0.250028 Hg\n0.000000 0.749972 0.749972 Hg\n","nsites":4,"nelements":3,"elements":["Y","Tl","Hg"],"chemical_system":"Hg-Tl-Y","density":0.8341790374285307,"density_atomic":0.0028934581668153,"volume":1382.4288340766375,"volume_molar":208.1295257373049,"formula_full":"Y1 Tl1 Hg2","formula_reduced":"YTlHg2","formula_anonymous":"ABC2","energy":-4.52189705,"energy_per_atom":-1.1304742625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52189705,"band_gap":0.0817000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9948831,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.703000Z","spacegroup":71},{"id":"mp-1095859","created_at":"2022-09-04T14:41:51.930607Z","structure_string":"Ba2 Al1 Tl1\n1.0\n-6.341976 7.233343 10.235678\n6.341976 -7.233343 10.235678\n6.341976 7.233343 -10.235678\nBa Al Tl\n2 1 1\ndirect\n0.000000 0.246483 0.246483 Ba\n0.000000 0.753517 0.753517 Ba\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n","nsites":4,"nelements":3,"elements":["Ba","Al","Tl"],"chemical_system":"Al-Ba-Tl","density":0.44737892621343994,"density_atomic":0.0021297063762290057,"volume":1878.1931841152,"volume_molar":282.76859323035825,"formula_full":"Ba2 Al1 Tl1","formula_reduced":"Ba2AlTl","formula_anonymous":"ABC2","energy":-4.52139518,"energy_per_atom":-1.130348795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52139518,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.8591351,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.120000Z","spacegroup":71},{"id":"mp-1093785","created_at":"2022-09-04T14:48:28.700892Z","structure_string":"Ba2 Tl1 In1\n1.0\n-6.386570 7.218102 10.204812\n6.386570 -7.218102 10.204812\n6.386570 7.218102 -10.204812\nBa Tl In\n2 1 1\ndirect\n0.000000 0.249844 0.249844 Ba\n0.000000 0.750156 0.750156 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n","nsites":4,"nelements":3,"elements":["Ba","Tl","In"],"chemical_system":"Ba-In-Tl","density":0.5240515902515852,"density_atomic":0.0021257113933899428,"volume":1881.7229904484198,"volume_molar":283.300017995213,"formula_full":"Ba2 Tl1 In1","formula_reduced":"Ba2TlIn","formula_anonymous":"ABC2","energy":-4.52128618,"energy_per_atom":-1.130321545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52128618,"band_gap":0.6467000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.58e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:40.234000Z","spacegroup":71}]}