{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10231","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10229","results":[{"id":"mp-754302","created_at":"2022-09-04T14:40:10.673675Z","structure_string":"Dy4 Zr4 O14\n1.0\n0.000000 5.293411 5.293411\n5.293411 0.000000 5.293411\n5.293411 5.293411 0.000000\nDy Zr O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Dy\n0.125000 0.625000 0.625000 Dy\n0.625000 0.125000 0.625000 Dy\n0.625000 0.625000 0.125000 Dy\n0.125000 0.125000 0.625000 Zr\n0.125000 0.625000 0.125000 Zr\n0.625000 0.125000 0.125000 Zr\n0.125000 0.125000 0.125000 Zr\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n0.216108 0.783892 0.783892 O\n0.216108 0.216108 0.783892 O\n0.783892 0.216108 0.783892 O\n0.783892 0.783892 0.216108 O\n0.216108 0.783892 0.216108 O\n0.466108 0.033892 0.033892 O\n0.783892 0.216108 0.216108 O\n0.033892 0.466108 0.033892 O\n0.466108 0.033892 0.466108 O\n0.466108 0.466108 0.033892 O\n0.033892 0.033892 0.466108 O\n0.033892 0.466108 0.466108 O\n","nsites":22,"nelements":3,"elements":["Dy","Zr","O"],"chemical_system":"Dy-O-Zr","density":6.934963207647262,"density_atomic":0.07416275225926222,"volume":296.64486996236593,"volume_molar":8.120168921114834,"formula_full":"Dy4 Zr4 O14","formula_reduced":"Dy2Zr2O7","formula_anonymous":"A2B2C7","energy":-206.95828724,"energy_per_atom":-9.407194874545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.34028724,"band_gap":2.609700000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004256,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.648000Z","spacegroup":227},{"id":"mp-754303","created_at":"2022-09-04T14:43:11.843641Z","structure_string":"Li2 Mn1 Fe3 O8\n1.0\n5.045480 -2.892776 0.000000\n5.045480 2.892776 0.000000\n3.386936 0.000000 4.727969\nLi Mn Fe O\n2 1 3 8\ndirect\n0.126558 0.126558 0.126558 Li\n0.873442 0.873442 0.873442 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.263910 0.263910 0.263910 O\n0.262667 0.262667 0.709015 O\n0.709015 0.262667 0.262667 O\n0.262667 0.709015 0.262667 O\n0.737333 0.290985 0.737333 O\n0.290985 0.737333 0.737333 O\n0.737333 0.737333 0.290985 O\n0.736090 0.736090 0.736090 O\n","nsites":14,"nelements":4,"elements":["Li","Mn","Fe","O"],"chemical_system":"Fe-Li-Mn-O","density":4.383754782568167,"density_atomic":0.10143927229663469,"volume":138.01360836915683,"volume_molar":5.936695545675547,"formula_full":"Li2 Mn1 Fe3 O8","formula_reduced":"Li2MnFe3O8","formula_anonymous":"AB2C3D8","energy":-102.51539474,"energy_per_atom":-7.322528195714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.58339474,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.0000089,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.049000Z","spacegroup":166},{"id":"mp-754304","created_at":"2022-09-04T14:45:10.816935Z","structure_string":"Ba4 Y4 I20\n1.0\n8.057575 0.000000 0.000000\n0.000000 8.614817 0.000000\n0.000000 0.000000 18.914379\nBa Y I\n4 4 20\ndirect\n0.767059 0.707295 0.666388 Ba\n0.267059 0.792705 0.333612 Ba\n0.732941 0.292705 0.166388 Ba\n0.232941 0.207295 0.833612 Ba\n0.327963 0.126919 0.585090 Y\n0.827963 0.373081 0.414910 Y\n0.172037 0.873081 0.085090 Y\n0.672037 0.626919 0.914910 Y\n0.142854 0.911669 0.684568 I\n0.599274 0.094918 0.693133 I\n0.155532 0.384880 0.660044 I\n0.480751 0.858304 0.506065 I\n0.542134 0.393679 0.522564 I\n0.042134 0.106321 0.477436 I\n0.980751 0.641696 0.493935 I\n0.655532 0.115120 0.339956 I\n0.099274 0.405082 0.306867 I\n0.642854 0.588331 0.315432 I\n0.357146 0.088331 0.184568 I\n0.900726 0.905082 0.193133 I\n0.344468 0.615120 0.160044 I\n0.019249 0.141696 0.006065 I\n0.957866 0.606321 0.022564 I\n0.457866 0.893679 0.977436 I\n0.519249 0.358304 0.993935 I\n0.844468 0.884880 0.839956 I\n0.400726 0.594918 0.806867 I\n0.857146 0.411669 0.815432 I\n","nsites":28,"nelements":3,"elements":["Ba","Y","I"],"chemical_system":"Ba-I-Y","density":4.354579701248428,"density_atomic":0.021326300839580686,"volume":1312.93280586351,"volume_molar":28.238093447613615,"formula_full":"Ba4 Y4 I20","formula_reduced":"BaYI5","formula_anonymous":"ABC5","energy":-113.47226729,"energy_per_atom":-4.052580974642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.89226729,"band_gap":2.7805,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004826,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.874000Z","spacegroup":19},{"id":"mp-754305","created_at":"2022-09-04T14:42:51.335533Z","structure_string":"Fe6 O5 F7\n1.0\n4.767526 0.000000 0.000000\n0.243297 5.690353 0.000000\n0.254690 0.648382 7.841268\nFe O F\n6 5 7\ndirect\n0.559563 0.830836 0.662337 Fe\n0.499674 0.486577 0.005620 Fe\n0.508081 0.165733 0.323547 Fe\n0.976276 0.334289 0.673432 Fe\n0.009284 0.665745 0.334381 Fe\n0.964125 0.009088 0.987319 Fe\n0.804558 0.029966 0.771044 O\n0.700242 0.203885 0.104211 O\n0.673577 0.542327 0.781980 O\n0.704280 0.869370 0.425249 O\n0.300360 0.465366 0.235269 O\n0.796961 0.376180 0.426805 F\n0.808932 0.705793 0.101993 F\n0.312683 0.125301 0.559794 F\n0.292046 0.803959 0.907942 F\n0.194393 0.961651 0.225412 F\n0.192686 0.635851 0.564176 F\n0.202283 0.288085 0.909490 F\n","nsites":18,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.2781431974723505,"density_atomic":0.08461628007317556,"volume":212.72502152580716,"volume_molar":7.117000126680226,"formula_full":"Fe6 O5 F7","formula_reduced":"Fe6O5F7","formula_anonymous":"A5B6C7","energy":-126.71117053,"energy_per_atom":-7.039509473888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.50617053,"band_gap":0.8985000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":29.0002962,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.429000Z","spacegroup":1},{"id":"mp-754306","created_at":"2022-09-04T14:44:25.386544Z","structure_string":"Ce4 Sm1 O9\n1.0\n-1.910172 2.776890 9.889975\n1.910172 -2.776890 9.889975\n1.910172 2.776890 -9.889975\nCe Sm O\n4 1 9\ndirect\n0.692504 0.699699 0.992805 Ce\n0.880838 0.893088 0.987750 Ce\n0.094662 0.106912 0.987750 Ce\n0.293107 0.300301 0.992805 Ce\n0.547966 0.500000 0.047966 Sm\n0.043962 0.803596 0.240367 O\n0.158325 0.416287 0.742037 O\n0.325750 0.583713 0.742037 O\n0.436771 0.196404 0.240367 O\n0.644006 0.393998 0.250008 O\n0.538753 0.797331 0.741422 O\n0.944091 0.202669 0.741422 O\n0.856010 0.606002 0.250008 O\n0.772882 0.000000 0.772882 O\n","nsites":14,"nelements":3,"elements":["Ce","Sm","O"],"chemical_system":"Ce-O-Sm","density":6.7645159401312425,"density_atomic":0.06671779726170747,"volume":209.83906205841225,"volume_molar":9.026288347586672,"formula_full":"Ce4 Sm1 O9","formula_reduced":"Ce4SmO9","formula_anonymous":"AB4C9","energy":-127.52992114,"energy_per_atom":-9.10928008142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-121.34692114,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9825767,"is_theoretical":true,"updated_at":"2021-11-28T01:36:39.392000Z","spacegroup":44},{"id":"mp-754307","created_at":"2022-09-04T14:48:20.734583Z","structure_string":"Ba2 Nd2 O6\n1.0\n5.490383 -3.236845 0.000000\n5.490383 3.236845 0.000000\n3.582106 0.000000 5.271621\nBa Nd O\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.834298 0.250000 0.665702 O\n0.665702 0.834298 0.250000 O\n0.750000 0.334298 0.165702 O\n0.250000 0.665702 0.834298 O\n0.334298 0.165702 0.750000 O\n0.165702 0.750000 0.334298 O\n","nsites":10,"nelements":3,"elements":["Ba","Nd","O"],"chemical_system":"Ba-Nd-O","density":5.841499662797266,"density_atomic":0.05337050111633463,"volume":187.3694230114581,"volume_molar":11.283650394949838,"formula_full":"Ba2 Nd2 O6","formula_reduced":"BaNdO3","formula_anonymous":"ABC3","energy":-73.00780508,"energy_per_atom":-7.300780508,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.88580508,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999153,"is_theoretical":true,"updated_at":"2021-11-28T01:38:59.278000Z","spacegroup":167},{"id":"mp-754308","created_at":"2022-09-04T14:44:25.666409Z","structure_string":"Li3 Cu3 P2 O8\n1.0\n5.109690 0.000000 0.000000\n-0.002508 5.385562 0.000000\n-0.009062 -0.019683 6.276163\nLi Cu P O\n3 3 2 8\ndirect\n0.994244 0.327315 0.752882 Li\n0.492031 0.673357 0.748494 Li\n0.491836 0.674707 0.251632 Li\n0.491364 0.173354 0.000656 Cu\n0.998186 0.827160 0.499448 Cu\n0.996421 0.331175 0.245094 Cu\n0.999200 0.819914 0.995153 P\n0.499080 0.176640 0.505366 P\n0.907953 0.096151 0.985247 O\n0.302713 0.803500 0.999997 O\n0.888421 0.678042 0.796842 O\n0.384438 0.315790 0.703244 O\n0.802632 0.187913 0.513872 O\n0.408619 0.899673 0.501115 O\n0.404877 0.316781 0.300352 O\n0.880577 0.698526 0.200608 O\n","nsites":16,"nelements":4,"elements":["Li","Cu","P","O"],"chemical_system":"Cu-Li-O-P","density":3.8593191803605205,"density_atomic":0.09264034969413726,"volume":172.71091973233948,"volume_molar":6.500559183857561,"formula_full":"Li3 Cu3 P2 O8","formula_reduced":"Li3Cu3(PO4)2","formula_anonymous":"A2B3C3D8","energy":-101.51934553,"energy_per_atom":-6.344959095625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.02334553,"band_gap":0.7068000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000157,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.232000Z","spacegroup":1},{"id":"mp-754310","created_at":"2022-09-04T14:45:20.012306Z","structure_string":"Fe5 O4 F8\n1.0\n3.198624 -3.411389 0.000000\n3.198624 3.411389 0.000000\n0.000000 0.000000 8.937489\nFe O F\n5 4 8\ndirect\n0.000000 0.000000 0.680720 Fe\n0.000000 0.000000 0.319280 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.172975 Fe\n0.500000 0.500000 0.827025 Fe\n0.303124 0.303124 0.345609 O\n0.303124 0.303124 0.654391 O\n0.696876 0.696876 0.345609 O\n0.696876 0.696876 0.654391 O\n0.207971 0.792029 0.500000 F\n0.208735 0.791265 0.825273 F\n0.208735 0.791265 0.174727 F\n0.306200 0.306200 0.000000 F\n0.693800 0.693800 0.000000 F\n0.791265 0.208735 0.174727 F\n0.791265 0.208735 0.825273 F\n0.792029 0.207971 0.500000 F\n","nsites":17,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.215978605145998,"density_atomic":0.08715834380889911,"volume":195.04730421763995,"volume_molar":6.90942541680688,"formula_full":"Fe5 O4 F8","formula_reduced":"Fe5(OF2)4","formula_anonymous":"A4B5C8","energy":-114.26102513,"energy_per_atom":-6.721236772352941,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.53702513,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.215000Z","spacegroup":65},{"id":"mp-754311","created_at":"2022-09-04T14:42:20.435807Z","structure_string":"Mg1 Re2 O8\n1.0\n2.909975 -5.040225 0.000000\n2.909975 5.040225 0.000000\n0.000000 0.000000 6.147066\nMg Re O\n1 2 8\ndirect\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.788633 Re\n0.666667 0.333333 0.211367 Re\n0.203512 0.863822 0.694870 O\n0.136178 0.339691 0.694870 O\n0.333333 0.666667 0.070322 O\n0.339691 0.203512 0.305130 O\n0.660309 0.796488 0.694870 O\n0.666667 0.333333 0.929678 O\n0.863822 0.660309 0.305130 O\n0.796488 0.136178 0.305130 O\n","nsites":11,"nelements":3,"elements":["Mg","Re","O"],"chemical_system":"Mg-O-Re","density":4.832088290860681,"density_atomic":0.06100362339842092,"volume":180.31715801794053,"volume_molar":9.871775518429097,"formula_full":"Mg1 Re2 O8","formula_reduced":"Mg(ReO4)2","formula_anonymous":"AB2C8","energy":-92.35655668,"energy_per_atom":-8.396050607272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.86055668,"band_gap":3.6278,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002992,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.114000Z","spacegroup":147},{"id":"mp-754312","created_at":"2022-09-04T14:46:08.722003Z","structure_string":"Li6 Co2 O4 F4\n1.0\n5.884110 0.000000 0.000000\n0.000000 5.032801 0.000000\n0.000000 1.563567 4.787536\nLi Co O F\n6 2 4 4\ndirect\n0.119138 0.250000 0.500000 Li\n0.637858 0.250000 0.500000 Li\n0.371661 0.250000 0.000000 Li\n0.362142 0.750000 0.500000 Li\n0.880862 0.750000 0.500000 Li\n0.628339 0.750000 0.000000 Li\n0.899568 0.250000 0.000000 Co\n0.100432 0.750000 0.000000 Co\n0.889424 0.012172 0.770054 O\n0.889424 0.487828 0.229946 O\n0.110576 0.512172 0.770054 O\n0.110576 0.987828 0.229946 O\n0.620537 0.002685 0.249262 F\n0.379463 0.502685 0.249262 F\n0.620537 0.497315 0.750738 F\n0.379463 0.997315 0.750738 F\n","nsites":16,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":3.5079109034127134,"density_atomic":0.11285411217064942,"volume":141.77595917644555,"volume_molar":5.336217390903555,"formula_full":"Li6 Co2 O4 F4","formula_reduced":"Li3Co(OF)2","formula_anonymous":"AB2C2D3","energy":-90.36139467,"energy_per_atom":-5.647587166875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.48939467,"band_gap":1.2644,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998567,"is_theoretical":true,"updated_at":"2021-11-28T01:37:23.164000Z","spacegroup":13},{"id":"mp-754313","created_at":"2022-09-04T14:44:15.716943Z","structure_string":"Li1 V3 Co1 O10\n1.0\n4.683030 4.631714 0.000000\n-4.683030 4.631714 0.000000\n0.000000 0.198559 4.647692\nLi V Co O\n1 3 1 10\ndirect\n0.004866 0.995134 0.000000 Li\n0.750855 0.249145 0.500000 V\n0.250457 0.250917 0.382259 V\n0.749083 0.749543 0.617741 V\n0.249310 0.750690 0.500000 Co\n0.756484 0.466284 0.702437 O\n0.231964 0.233095 0.733643 O\n0.533716 0.243516 0.297563 O\n0.963631 0.239856 0.266916 O\n0.760144 0.036369 0.733084 O\n0.238036 0.974690 0.269627 O\n0.025310 0.761964 0.730373 O\n0.475429 0.756189 0.701842 O\n0.766905 0.768036 0.266357 O\n0.243811 0.524571 0.298158 O\n","nsites":15,"nelements":4,"elements":["Li","V","Co","O"],"chemical_system":"Co-Li-O-V","density":3.1188896917369493,"density_atomic":0.07439697012789108,"volume":201.6211140616944,"volume_molar":8.094604860450259,"formula_full":"Li1 V3 Co1 O10","formula_reduced":"LiV3CoO10","formula_anonymous":"ABC3D10","energy":-115.90952312,"energy_per_atom":-7.7273015413333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.30152312,"band_gap":0.4453,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0001932,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.460000Z","spacegroup":5},{"id":"mp-754314","created_at":"2022-09-04T14:46:32.882975Z","structure_string":"Li4 Cr3 Ni1 O8\n1.0\n-5.140440 -1.537224 2.518739\n-3.455036 -4.113077 -2.515208\n5.145996 -1.541027 2.515115\nLi Cr Ni O\n4 3 1 8\ndirect\n0.500002 0.499959 0.500031 Li\n0.000059 0.999950 0.500006 Li\n0.000092 0.500074 0.000127 Li\n0.500134 0.999974 0.000068 Li\n0.999768 0.499958 0.500039 Cr\n0.499795 0.499950 0.999671 Cr\n0.499931 0.999967 0.499978 Cr\n0.000083 0.000134 0.999993 Ni\n0.742897 0.742441 0.257547 O\n0.257108 0.257531 0.742465 O\n0.241411 0.239250 0.256056 O\n0.241397 0.744027 0.760780 O\n0.735691 0.246815 0.753142 O\n0.758632 0.760837 0.744087 O\n0.758613 0.255991 0.239189 O\n0.264383 0.753137 0.246823 O\n","nsites":16,"nelements":4,"elements":["Li","Cr","Ni","O"],"chemical_system":"Cr-Li-Ni-O","density":4.202813879011431,"density_atomic":0.10931810942575731,"volume":146.36184328513562,"volume_molar":5.508822638475922,"formula_full":"Li4 Cr3 Ni1 O8","formula_reduced":"Li4Cr3NiO8","formula_anonymous":"AB3C4D8","energy":-116.84230348,"energy_per_atom":-7.3026439675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.80830348,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0002044,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.652000Z","spacegroup":166}]}