{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10250","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10248","results":[{"id":"mp-23736","created_at":"2022-09-04T14:40:03.480169Z","structure_string":"Li2 Mg2 H6\n1.0\n4.662864 -2.479255 0.000000\n4.662864 2.479255 0.000000\n3.344638 0.000000 4.086857\nLi Mg H\n2 2 6\ndirect\n0.288937 0.288937 0.288937 Li\n0.788937 0.788937 0.788937 Li\n0.999186 0.999186 0.999186 Mg\n0.499186 0.499186 0.499186 Mg\n0.700549 0.101527 0.389600 H\n0.389600 0.700549 0.101527 H\n0.101527 0.389600 0.700549 H\n0.200549 0.889600 0.601527 H\n0.889600 0.601527 0.200549 H\n0.601527 0.200549 0.889600 H\n","nsites":10,"nelements":3,"elements":["Li","Mg","H"],"chemical_system":"H-Li-Mg","density":1.2044742848392733,"density_atomic":0.10582946872217447,"volume":94.4916394341182,"volume_molar":5.690419533154266,"formula_full":"Li2 Mg2 H6","formula_reduced":"LiMgH3","formula_anonymous":"ABC3","energy":-31.03539746,"energy_per_atom":-3.103539746,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.96139746,"band_gap":3.996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002082,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.951000Z","spacegroup":161},{"id":"mp-755525","created_at":"2022-09-04T14:40:16.023733Z","structure_string":"Tm4 Ti4 O12\n1.0\n5.286485 0.000000 0.000000\n0.000000 5.673760 0.000000\n0.000000 0.000000 7.650199\nTm Ti O\n4 4 12\ndirect\n0.476051 0.925852 0.750000 Tm\n0.023949 0.425852 0.750000 Tm\n0.976051 0.574148 0.250000 Tm\n0.523949 0.074148 0.250000 Tm\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.368689 0.447330 0.250000 O\n0.312505 0.195772 0.936327 O\n0.312505 0.195772 0.563673 O\n0.187495 0.695772 0.936327 O\n0.187495 0.695772 0.563673 O\n0.131311 0.947330 0.250000 O\n0.868689 0.052670 0.750000 O\n0.812505 0.304228 0.436327 O\n0.812505 0.304228 0.063673 O\n0.687495 0.804228 0.436327 O\n0.687495 0.804228 0.063673 O\n0.631311 0.552670 0.750000 O\n","nsites":20,"nelements":3,"elements":["Tm","Ti","O"],"chemical_system":"O-Ti-Tm","density":7.665057270760334,"density_atomic":0.08716041669793015,"volume":229.46195942721957,"volume_molar":6.909261093680626,"formula_full":"Tm4 Ti4 O12","formula_reduced":"TmTiO3","formula_anonymous":"ABC3","energy":-181.92998778,"energy_per_atom":-9.096499389,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.68598778,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0007133,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.895000Z","spacegroup":62},{"id":"mp-22435","created_at":"2022-09-04T14:40:16.061371Z","structure_string":"Ce1 B1 Pt3\n1.0\n3.977593 0.000000 0.000000\n0.000000 3.977593 0.000000\n0.000000 0.000000 5.212601\nCe B Pt\n1 1 3\ndirect\n0.000000 0.000000 0.979304 Ce\n0.500000 0.500000 0.711928 B\n0.000000 0.500000 0.514646 Pt\n0.500000 0.500000 0.121375 Pt\n0.500000 0.000000 0.514646 Pt\n","nsites":5,"nelements":3,"elements":["Ce","B","Pt"],"chemical_system":"B-Ce-Pt","density":14.823042502431157,"density_atomic":0.060628222532802235,"volume":82.46984310474886,"volume_molar":9.93290007263826,"formula_full":"Ce1 B1 Pt3","formula_reduced":"CeBPt3","formula_anonymous":"ABC3","energy":-35.20589156,"energy_per_atom":-7.0411783119999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.20589156,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6816705,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.329000Z","spacegroup":99},{"id":"mp-1207625","created_at":"2022-09-04T14:40:16.089877Z","structure_string":"Yb4 Ce4 O12\n1.0\n5.746749 0.000000 0.000000\n0.000000 5.937703 0.000000\n0.000000 0.000000 8.450438\nYb Ce O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.500000 0.500000 0.500000 Yb\n0.015781 0.452478 0.250000 Ce\n0.984219 0.547522 0.750000 Ce\n0.515781 0.047522 0.750000 Ce\n0.484219 0.952478 0.250000 Ce\n0.328651 0.173688 0.082419 O\n0.671349 0.826312 0.917581 O\n0.828651 0.326312 0.917581 O\n0.671349 0.826312 0.582419 O\n0.171349 0.673688 0.082419 O\n0.328651 0.173688 0.417581 O\n0.171349 0.673688 0.417581 O\n0.828651 0.326312 0.582419 O\n0.659770 0.596163 0.250000 O\n0.340230 0.403837 0.750000 O\n0.159770 0.903837 0.750000 O\n0.840230 0.096163 0.250000 O\n","nsites":20,"nelements":3,"elements":["Yb","Ce","O"],"chemical_system":"Ce-O-Yb","density":8.31920524994657,"density_atomic":0.06936015840854477,"volume":288.34997582035675,"volume_molar":8.682420712663925,"formula_full":"Yb4 Ce4 O12","formula_reduced":"YbCeO3","formula_anonymous":"ABC3","energy":-163.00667666000004,"energy_per_atom":-8.150333833000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.76267666,"band_gap":1.7846000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.55e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.112000Z","spacegroup":62},{"id":"mp-19973","created_at":"2022-09-04T14:40:16.107964Z","structure_string":"La1 Co1 Ge3\n1.0\n-2.179939 2.179939 4.961283\n2.179939 -2.179939 4.961283\n2.179939 2.179939 -4.961283\nLa Co Ge\n1 1 3\ndirect\n0.339197 0.339197 0.000000 La\n0.003793 0.003793 0.000000 Co\n0.096840 0.596840 0.500000 Ge\n0.771230 0.771230 0.000000 Ge\n0.596840 0.096840 0.500000 Ge\n","nsites":5,"nelements":3,"elements":["La","Co","Ge"],"chemical_system":"Co-Ge-La","density":7.320617783002699,"density_atomic":0.053018487004517986,"volume":94.30672737933702,"volume_molar":11.358567737866268,"formula_full":"La1 Co1 Ge3","formula_reduced":"LaCoGe3","formula_anonymous":"ABC3","energy":-29.00198128,"energy_per_atom":-5.800396256,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.00198128,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015238,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.124000Z","spacegroup":107},{"id":"mp-561216","created_at":"2022-09-04T14:40:16.130429Z","structure_string":"Cu8 Ge8 O24\n1.0\n4.940397 -5.955883 0.000000\n4.940397 5.955883 0.000000\n0.000000 0.000000 8.714470\nCu Ge O\n8 8 24\ndirect\n0.247814 0.752186 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.747814 0.252186 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.752186 0.247814 0.500000 Cu\n0.252186 0.747814 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.671291 0.921443 0.250522 Ge\n0.328709 0.078557 0.749478 Ge\n0.421443 0.171291 0.249478 Ge\n0.578557 0.828709 0.750522 Ge\n0.828709 0.578557 0.750522 Ge\n0.921443 0.671291 0.250522 Ge\n0.171291 0.421443 0.249478 Ge\n0.078557 0.328709 0.749478 Ge\n0.731709 0.483225 0.921739 O\n0.195191 0.195191 0.251604 O\n0.027604 0.775731 0.086892 O\n0.444741 0.944741 0.250000 O\n0.224269 0.972396 0.913108 O\n0.804809 0.804809 0.748396 O\n0.304809 0.304809 0.751604 O\n0.972396 0.224269 0.913108 O\n0.695191 0.695191 0.248396 O\n0.268291 0.516775 0.078261 O\n0.483225 0.731709 0.921739 O\n0.275731 0.527604 0.413108 O\n0.516775 0.268291 0.078261 O\n0.768291 0.016775 0.421739 O\n0.016775 0.768291 0.421739 O\n0.944741 0.444741 0.250000 O\n0.775731 0.027604 0.086892 O\n0.231709 0.983225 0.578261 O\n0.983225 0.231709 0.578261 O\n0.055259 0.555259 0.750000 O\n0.527604 0.275731 0.413108 O\n0.472396 0.724269 0.586892 O\n0.555259 0.055259 0.750000 O\n0.724269 0.472396 0.586892 O\n","nsites":40,"nelements":3,"elements":["Cu","Ge","O"],"chemical_system":"Cu-Ge-O","density":4.771033595662788,"density_atomic":0.07799755867685541,"volume":512.8365640996581,"volume_molar":7.720934939707259,"formula_full":"Cu8 Ge8 O24","formula_reduced":"CuGeO3","formula_anonymous":"ABC3","energy":-252.62368166,"energy_per_atom":-6.3155920414999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.13568166,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0091074,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.873000Z","spacegroup":64},{"id":"mp-865181","created_at":"2022-09-04T14:40:16.176139Z","structure_string":"Eu1 Ge1 O3\n1.0\n3.900174 0.000000 0.000000\n0.000000 3.900174 0.000000\n0.000000 0.000000 3.900174\nEu Ge O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Eu","Ge","O"],"chemical_system":"Eu-Ge-O","density":7.630034566719579,"density_atomic":0.08427874422937517,"volume":59.32693997423446,"volume_molar":7.1455036676982155,"formula_full":"Eu1 Ge1 O3","formula_reduced":"EuGeO3","formula_anonymous":"ABC3","energy":-42.75929152,"energy_per_atom":-8.551858304,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.69829152,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.7887703,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.023000Z","spacegroup":221},{"id":"mp-10038","created_at":"2022-09-04T14:40:09.890538Z","structure_string":"Er3 Al1 C1\n1.0\n5.303405 0.000000 0.000000\n0.000000 5.303405 0.000000\n0.000000 0.000000 5.303405\nEr Al C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":3,"elements":["Er","Al","C"],"chemical_system":"Al-C-Er","density":6.020002827954106,"density_atomic":0.03352012450996881,"volume":149.16412373447514,"volume_molar":17.965746989421323,"formula_full":"Er3 Al1 C1","formula_reduced":"Er3AlC","formula_anonymous":"ABC3","energy":-19.45105464,"energy_per_atom":-3.8902109279999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.45105464,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.943000Z","spacegroup":221},{"id":"mp-603930","created_at":"2022-09-04T14:40:16.883225Z","structure_string":"Mg4 Si4 O12\n1.0\n4.428286 5.107238 0.000000\n-4.428286 5.107238 0.000000\n0.000000 2.085417 4.945218\nMg Si O\n4 4 12\ndirect\n0.261096 0.738904 0.250000 Mg\n0.899155 0.100845 0.250000 Mg\n0.738904 0.261096 0.750000 Mg\n0.100845 0.899155 0.750000 Mg\n0.619142 0.797355 0.801443 Si\n0.202645 0.380858 0.698557 Si\n0.797355 0.619142 0.301443 Si\n0.380858 0.202645 0.198557 Si\n0.685503 0.620219 0.625659 O\n0.620219 0.685503 0.125659 O\n0.864389 0.376305 0.343795 O\n0.623695 0.135611 0.156205 O\n0.314497 0.379781 0.374341 O\n0.788835 0.974295 0.665834 O\n0.379781 0.314497 0.874341 O\n0.211165 0.025705 0.334166 O\n0.376305 0.864389 0.843795 O\n0.135611 0.623695 0.656205 O\n0.974295 0.788835 0.165834 O\n0.025705 0.211165 0.834166 O\n","nsites":20,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":2.980963946500409,"density_atomic":0.08941138042685247,"volume":223.68517189332536,"volume_molar":6.735317955332005,"formula_full":"Mg4 Si4 O12","formula_reduced":"MgSiO3","formula_anonymous":"ABC3","energy":-152.03121522,"energy_per_atom":-7.601560761,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.78721522,"band_gap":4.5794,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016884,"is_theoretical":false,"updated_at":"2021-11-28T01:34:57.536000Z","spacegroup":15},{"id":"mp-1188081","created_at":"2022-09-04T14:40:16.368819Z","structure_string":"Pu1 Ni1 O3\n1.0\n3.777442 0.000000 0.000000\n0.000000 3.777442 0.000000\n0.000000 0.000000 3.777442\nPu Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ni\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":["Pu","Ni","O"],"chemical_system":"Ni-O-Pu","density":10.803912212138673,"density_atomic":0.09276338543989411,"volume":53.90057700340984,"volume_molar":6.491937235195061,"formula_full":"Pu1 Ni1 O3","formula_reduced":"PuNiO3","formula_anonymous":"ABC3","energy":-45.69816226,"energy_per_atom":-9.139632451999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.09616226,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0061753,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.386000Z","spacegroup":221},{"id":"mp-754787","created_at":"2022-09-04T14:39:59.454740Z","structure_string":"Sm4 Tl4 O12\n1.0\n5.702096 0.000000 0.000000\n0.000000 6.071963 0.000000\n0.000000 0.000000 8.641722\nSm Tl O\n4 4 12\ndirect\n0.975994 0.069115 0.250000 Sm\n0.475994 0.430885 0.750000 Sm\n0.524006 0.569115 0.250000 Sm\n0.024006 0.930885 0.750000 Sm\n0.500000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.500000 0.500000 Tl\n0.654394 0.077556 0.750000 O\n0.189564 0.186264 0.580678 O\n0.189564 0.186264 0.919322 O\n0.689564 0.313736 0.419322 O\n0.689564 0.313736 0.080678 O\n0.154394 0.422444 0.250000 O\n0.845606 0.577556 0.750000 O\n0.310436 0.686264 0.919322 O\n0.310436 0.686264 0.580678 O\n0.810436 0.813736 0.080678 O\n0.810436 0.813736 0.419322 O\n0.345606 0.922444 0.250000 O\n","nsites":20,"nelements":3,"elements":["Sm","Tl","O"],"chemical_system":"O-Sm-Tl","density":8.940700349866306,"density_atomic":0.06684455912599378,"volume":299.2016143348699,"volume_molar":9.0091711857191,"formula_full":"Sm4 Tl4 O12","formula_reduced":"SmTlO3","formula_anonymous":"ABC3","energy":-135.89652777,"energy_per_atom":-6.794826388500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.65252777,"band_gap":0.5754999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.21e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.592000Z","spacegroup":62},{"id":"mp-20922","created_at":"2022-09-04T14:39:49.157744Z","structure_string":"Dy3 Ga1 C1\n1.0\n5.300761 0.000000 0.000000\n0.000000 5.300761 0.000000\n0.000000 0.000000 5.300761\nDy Ga C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":3,"elements":["Dy","Ga","C"],"chemical_system":"C-Dy-Ga","density":6.346364780491208,"density_atomic":0.033570308676060576,"volume":148.94113867846457,"volume_molar":17.93889004152788,"formula_full":"Dy3 Ga1 C1","formula_reduced":"Dy3GaC","formula_anonymous":"ABC3","energy":-20.13338935,"energy_per_atom":-4.02667787,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.13338935,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.56e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.959000Z","spacegroup":221}]}