{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=56","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=54","results":[{"id":"mp-634659","created_at":"2022-09-04T14:39:44.232237Z","structure_string":"H1\n1.0\n0.000000 2.714276 2.714276\n2.714276 0.000000 2.714276\n2.714276 2.714276 0.000000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n","nsites":1,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.04184964346674343,"density_atomic":0.025003913308295884,"volume":39.99373968666803,"volume_molar":24.084792991191318,"formula_full":"H1","formula_reduced":"H","formula_anonymous":"A","energy":-1.11598378,"energy_per_atom":-1.11598378,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.11598378,"band_gap":7.5516,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.544000Z","spacegroup":225},{"id":"mp-1184502","created_at":"2022-09-04T14:42:39.769064Z","structure_string":"In3\n1.0\n8.523985 -1.666431 0.000000\n8.523985 1.666431 0.000000\n8.198199 0.000000 2.867898\nIn\n3\ndirect\n0.000000 0.000000 0.000000 In\n0.778336 0.778336 0.778336 In\n0.221664 0.221664 0.221664 In\n","nsites":3,"nelements":1,"elements":["In"],"chemical_system":"In","density":7.020315339450969,"density_atomic":0.03682116668847311,"volume":81.47487626835985,"volume_molar":16.355105776388218,"formula_full":"In3","formula_reduced":"In","formula_anonymous":"A","energy":-8.25505119,"energy_per_atom":-2.75168373,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.25505119,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.011167,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.063000Z","spacegroup":166},{"id":"mp-666931","created_at":"2022-09-04T14:44:16.167184Z","structure_string":"S32\n1.0\n0.000000 7.386536 12.734745\n6.162454 0.000000 12.734745\n6.162454 7.386536 0.000000\nS\n32\ndirect\n0.867606 0.043695 0.746621 S\n0.851359 0.737775 0.041775 S\n0.746100 0.842553 0.867043 S\n0.040267 0.872288 0.850387 S\n0.128649 0.959381 0.262984 S\n0.157312 0.254180 0.962311 S\n0.260536 0.147666 0.130503 S\n0.954825 0.133747 0.152578 S\n0.769358 0.238868 0.794541 S\n0.692034 0.797618 0.240151 S\n0.793496 0.695510 0.762614 S\n0.247137 0.762957 0.697399 S\n0.230058 0.756224 0.203718 S\n0.301909 0.209130 0.752806 S\n0.209141 0.302274 0.236135 S\n0.752204 0.233088 0.305719 S\n0.862926 0.294980 0.617259 S\n0.730953 0.617464 0.293588 S\n0.623389 0.721029 0.860793 S\n0.294175 0.856596 0.726257 S\n0.146087 0.698610 0.378903 S\n0.276272 0.375432 0.705321 S\n0.378425 0.272405 0.145097 S\n0.706005 0.136555 0.273999 S\n0.028931 0.229169 0.671258 S\n0.573878 0.672984 0.227245 S\n0.670280 0.575940 0.026431 S\n0.231063 0.020995 0.573527 S\n0.971094 0.771097 0.328234 S\n0.422847 0.330484 0.768297 S\n0.326313 0.425957 0.980072 S\n0.771945 0.975415 0.426861 S\n","nsites":32,"nelements":1,"elements":["S"],"chemical_system":"S","density":1.469655559945604,"density_atomic":0.02760166116877462,"volume":1159.350511707649,"volume_molar":21.81803741150466,"formula_full":"S32","formula_reduced":"S","formula_anonymous":"A","energy":-131.70315189,"energy_per_atom":-4.1157234965625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.70315189,"band_gap":2.6034,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.37e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.980000Z","spacegroup":5},{"id":"mp-1217805","created_at":"2022-09-04T14:48:30.400982Z","structure_string":"Ta2\n1.0\n0.000000 0.000000 2.406720\n21.717152 0.000333 0.000000\n0.000333 21.717152 0.000000\nTa\n2\ndirect\n0.000000 0.818090 0.318090 Ta\n0.000000 0.181910 0.681910 Ta\n","nsites":2,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":0.5294211455763627,"density_atomic":0.0017619707183544225,"volume":1135.092643235231,"volume_molar":341.7843836601512,"formula_full":"Ta2","formula_reduced":"Ta","formula_anonymous":"A","energy":-13.42462527,"energy_per_atom":-6.712312635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.42462527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.4133939,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.531000Z","spacegroup":65},{"id":"mp-33","created_at":"2022-09-04T14:43:53.649143Z","structure_string":"Ru2\n1.0\n1.366465 -2.366787 0.000000\n1.366465 2.366787 0.000000\n0.000000 0.000000 4.313923\nRu\n2\ndirect\n0.333333 0.666667 0.750000 Ru\n0.666667 0.333333 0.250000 Ru\n","nsites":2,"nelements":1,"elements":["Ru"],"chemical_system":"Ru","density":12.029325778163212,"density_atomic":0.07167536668549511,"volume":27.903589370889655,"volume_molar":8.401967145036867,"formula_full":"Ru2","formula_reduced":"Ru","formula_anonymous":"A","energy":-18.54877931,"energy_per_atom":-9.274389655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.54877931,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019915,"is_theoretical":false,"updated_at":"2021-11-28T01:36:24.051000Z","spacegroup":194},{"id":"mp-1178952","created_at":"2022-09-04T14:45:24.865588Z","structure_string":"Te4\n1.0\n3.130769 0.000000 0.000000\n0.000000 4.742908 0.000000\n0.000000 0.000000 8.985613\nTe\n4\ndirect\n0.500000 0.545271 0.760814 Te\n0.500000 0.454729 0.260814 Te\n0.500000 0.987468 0.009186 Te\n0.500000 0.012532 0.509186 Te\n","nsites":4,"nelements":1,"elements":["Te"],"chemical_system":"Te","density":6.352085390179579,"density_atomic":0.02997895952384046,"volume":133.42691219216735,"volume_molar":20.087891159834797,"formula_full":"Te4","formula_reduced":"Te","formula_anonymous":"A","energy":-12.37668086,"energy_per_atom":-3.094170215,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.37668086,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.527000Z","spacegroup":26},{"id":"mp-1076920","created_at":"2022-09-04T14:44:23.994667Z","structure_string":"U1\n1.0\n1.433069 -2.482148 0.000000\n1.433069 2.482148 0.000000\n0.000000 0.000000 2.832045\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n","nsites":1,"nelements":1,"elements":["U"],"chemical_system":"U","density":19.617961832382314,"density_atomic":0.04963352040713929,"volume":20.147674228970466,"volume_molar":12.13321301934846,"formula_full":"U1","formula_reduced":"U","formula_anonymous":"A","energy":-10.90615872,"energy_per_atom":-10.90615872,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.90615872,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004642,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.155000Z","spacegroup":191},{"id":"mp-1056059","created_at":"2022-09-04T14:47:21.082969Z","structure_string":"O1\n1.0\n1.784516 0.000000 0.000000\n0.000000 1.784516 0.000000\n0.000000 0.000000 3.089828\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n","nsites":1,"nelements":1,"elements":["O"],"chemical_system":"O","density":2.700085999486939,"density_atomic":0.10163067339171998,"volume":9.839549091106107,"volume_molar":5.925514964157105,"formula_full":"O1","formula_reduced":"O","formula_anonymous":"A","energy":-3.39040623,"energy_per_atom":-3.39040623,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.39040623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002598,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.913000Z","spacegroup":123},{"id":"mp-10679","created_at":"2022-09-04T14:42:24.616798Z","structure_string":"Ba1\n1.0\n0.000000 3.175953 3.175953\n3.175953 0.000000 3.175953\n3.175953 3.175953 0.000000\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n","nsites":1,"nelements":1,"elements":["Ba"],"chemical_system":"Ba","density":3.5592036170430794,"density_atomic":0.015608019677661131,"volume":64.0696270668625,"volume_molar":38.583631263735185,"formula_full":"Ba1","formula_reduced":"Ba","formula_anonymous":"A","energy":-1.90597036,"energy_per_atom":-1.90597036,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.90597036,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008191,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.207000Z","spacegroup":225},{"id":"mp-118","created_at":"2022-09-04T14:40:40.578560Z","structure_string":"P24\n1.0\n6.024789 0.000000 0.000000\n-2.097822 11.676014 0.000000\n-1.823901 -1.203666 11.818700\nP\n24\ndirect\n0.072058 0.002225 0.186819 P\n0.927942 0.997775 0.813181 P\n0.850467 0.952993 0.312077 P\n0.149533 0.047007 0.687923 P\n0.006843 0.134953 0.309157 P\n0.993157 0.865047 0.690843 P\n0.221928 0.011505 0.366927 P\n0.778072 0.988495 0.633073 P\n0.763585 0.368292 0.057523 P\n0.236415 0.631708 0.942477 P\n0.592584 0.186137 0.034895 P\n0.407416 0.813863 0.965105 P\n0.513831 0.305591 0.165930 P\n0.486169 0.694409 0.834070 P\n0.396884 0.320114 0.985814 P\n0.603116 0.679886 0.014186 P\n0.296883 0.682883 0.463448 P\n0.703117 0.317117 0.536552 P\n0.947588 0.627152 0.367824 P\n0.052412 0.372848 0.632176 P\n0.201284 0.515294 0.359954 P\n0.798716 0.484706 0.640046 P\n0.236519 0.676026 0.277493 P\n0.763481 0.323974 0.722507 P\n","nsites":24,"nelements":1,"elements":["P"],"chemical_system":"P","density":1.484732238196678,"density_atomic":0.028867228115267863,"volume":831.3926056276395,"volume_molar":20.861513741303384,"formula_full":"P24","formula_reduced":"P","formula_anonymous":"A","energy":-126.58428697,"energy_per_atom":-5.274345290416666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.58428697,"band_gap":3.6113,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039157,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.194000Z","spacegroup":2},{"id":"mp-24504","created_at":"2022-09-04T14:45:27.574732Z","structure_string":"H4\n1.0\n1.880977 -3.257948 0.000000\n1.880977 3.257948 0.000000\n0.000000 0.000000 4.534819\nH\n4\ndirect\n0.333333 0.666667 0.167317 H\n0.666667 0.333333 0.667317 H\n0.666667 0.333333 0.832683 H\n0.333333 0.666667 0.332683 H\n","nsites":4,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.12045537461066755,"density_atomic":0.07196849231647247,"volume":55.57987768328533,"volume_molar":8.367746170808173,"formula_full":"H4","formula_reduced":"H","formula_anonymous":"A","energy":-13.57090418,"energy_per_atom":-3.392726045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.57090418,"band_gap":8.0699,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.89e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:00.218000Z","spacegroup":194},{"id":"mp-567409","created_at":"2022-09-04T14:39:11.650265Z","structure_string":"Sb4\n1.0\n4.421100 0.000000 0.000000\n0.000000 4.527700 0.000000\n0.000000 1.320519 6.364348\nSb\n4\ndirect\n0.750000 0.660070 0.683670 Sb\n0.250000 0.063362 0.762758 Sb\n0.750000 0.936638 0.237242 Sb\n0.250000 0.339930 0.316330 Sb\n","nsites":4,"nelements":1,"elements":["Sb"],"chemical_system":"Sb","density":6.348217939294897,"density_atomic":0.03139771847799148,"volume":127.39779174731557,"volume_molar":19.180185860387517,"formula_full":"Sb4","formula_reduced":"Sb","formula_anonymous":"A","energy":-16.03242671,"energy_per_atom":-4.0081066775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.03242671,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008247,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.287000Z","spacegroup":11}]}