{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10122","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10120","results":[{"id":"mp-697451","created_at":"2022-09-04T14:39:15.646117Z","structure_string":"Zn2 P4 H8 O8\n1.0\n5.477406 0.000000 0.000000\n0.000000 6.557526 0.000000\n0.000000 0.000000 7.506516\nZn P H O\n2 4 8 8\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.250000 0.858257 P\n0.000000 0.750000 0.141743 P\n0.500000 0.250000 0.372233 P\n0.500000 0.750000 0.627767 P\n0.000000 0.422781 0.745921 H\n0.000000 0.577219 0.254079 H\n0.000000 0.077219 0.745921 H\n0.000000 0.922781 0.254079 H\n0.298297 0.250000 0.490605 H\n0.298297 0.750000 0.509395 H\n0.701703 0.750000 0.509395 H\n0.701703 0.250000 0.490605 H\n0.762341 0.250000 0.966461 O\n0.762341 0.750000 0.033539 O\n0.237659 0.750000 0.033539 O\n0.237659 0.250000 0.966461 O\n0.500000 0.449605 0.267204 O\n0.500000 0.550395 0.732796 O\n0.500000 0.050395 0.267204 O\n0.500000 0.949605 0.732796 O\n","nsites":22,"nelements":4,"elements":["Zn","P","H","O"],"chemical_system":"H-O-P-Zn","density":2.40668309962868,"density_atomic":0.08159608314003984,"volume":269.6207851330602,"volume_molar":7.3804287267863815,"formula_full":"Zn2 P4 H8 O8","formula_reduced":"ZnP2(HO)4","formula_anonymous":"AB2C4D4","energy":-121.97410588,"energy_per_atom":-5.5442775399999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.04610588,"band_gap":4.126,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009422,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.545000Z","spacegroup":51},{"id":"mp-1184757","created_at":"2022-09-04T14:39:15.665905Z","structure_string":"K2 Cd1 Au1\n1.0\n0.000000 4.155040 4.155040\n4.155040 0.000000 4.155040\n4.155040 4.155040 0.000000\nK Cd Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["K","Cd","Au"],"chemical_system":"Au-Cd-K","density":4.485886687804088,"density_atomic":0.027880744628986952,"volume":143.4681911558881,"volume_molar":21.59964104308363,"formula_full":"K2 Cd1 Au1","formula_reduced":"K2CdAu","formula_anonymous":"ABC2","energy":-6.88502526,"energy_per_atom":-1.721256315,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.88502526,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030158,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.817000Z","spacegroup":225},{"id":"mp-776740","created_at":"2022-09-04T14:39:15.679747Z","structure_string":"Li4 Mn2 W2 O12\n1.0\n2.399373 -1.603831 -4.193142\n0.000427 2.885584 -4.192990\n8.273449 1.536676 4.145861\nLi Mn W O\n4 2 2 12\ndirect\n0.357944 0.284094 0.926082 Li\n0.857976 0.284035 0.426024 Li\n0.608070 0.783945 0.175859 Li\n0.108092 0.783904 0.675836 Li\n0.999704 0.000602 0.000858 Mn\n0.499752 0.000506 0.500910 Mn\n0.249827 0.500178 0.250465 W\n0.749836 0.500177 0.750453 W\n0.747054 0.740690 0.616648 O\n0.247001 0.740786 0.116649 O\n0.012291 0.363669 0.116659 O\n0.512336 0.363627 0.616663 O\n0.624051 0.129025 0.116664 O\n0.124053 0.128990 0.616663 O\n0.369388 0.866786 0.866702 O\n0.869322 0.866862 0.366729 O\n0.999979 0.630604 0.866753 O\n0.500078 0.630566 0.366780 O\n0.263820 0.236050 0.366709 O\n0.763824 0.236105 0.866696 O\n","nsites":20,"nelements":4,"elements":["Li","Mn","W","O"],"chemical_system":"Li-Mn-O-W","density":5.792247556050137,"density_atomic":0.10004613599313875,"volume":199.90777056468846,"volume_molar":6.019363666791694,"formula_full":"Li4 Mn2 W2 O12","formula_reduced":"Li2MnWO6","formula_anonymous":"ABC2D6","energy":-154.16877646999998,"energy_per_atom":-7.708438823499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.71277647,"band_gap":0.7695999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.999984,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.213000Z","spacegroup":146},{"id":"mp-1076454","created_at":"2022-09-04T14:39:15.717488Z","structure_string":"Sr4 Ti4 O10\n1.0\n-2.824693 2.838586 7.920449\n2.824693 -2.838586 7.920449\n2.824693 2.838586 -7.920449\nSr Ti O\n4 4 10\ndirect\n0.899114 0.390873 0.515291 Sr\n0.100886 0.616177 0.491759 Sr\n0.375582 0.890873 0.491759 Sr\n0.624418 0.116177 0.515291 Sr\n0.000000 0.004213 0.004213 Ti\n0.500000 0.504213 0.004213 Ti\n0.710865 0.727136 0.938001 Ti\n0.289135 0.227136 0.016270 Ti\n0.255812 0.257883 0.502685 O\n0.744188 0.246873 0.002071 O\n0.255198 0.757883 0.002071 O\n0.744802 0.746873 0.502685 O\n0.897960 0.871192 0.031342 O\n0.102040 0.133383 0.973233 O\n0.339850 0.371192 0.973233 O\n0.660150 0.633383 0.031342 O\n0.572649 0.416270 0.488919 O\n0.427350 0.916270 0.843620 O\n","nsites":18,"nelements":3,"elements":["Sr","Ti","O"],"chemical_system":"O-Sr-Ti","density":4.588462881816368,"density_atomic":0.07085808348921795,"volume":254.02888581849595,"volume_molar":8.498876152805279,"formula_full":"Sr4 Ti4 O10","formula_reduced":"Sr2Ti2O5","formula_anonymous":"A2B2C5","energy":-146.47241325000002,"energy_per_atom":-8.137356291666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.60241325,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8330115,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.074000Z","spacegroup":46},{"id":"mp-752944","created_at":"2022-09-04T14:39:15.726886Z","structure_string":"Cr4 O4 F4\n1.0\n0.000000 3.048021 0.000000\n-0.000001 0.000000 13.573826\n3.949942 0.000000 0.000000\nCr O F\n4 4 4\ndirect\n0.250001 0.564829 0.250002 Cr\n0.749997 0.435177 0.749999 Cr\n0.250003 0.064824 0.249995 Cr\n0.749998 0.935175 0.750001 Cr\n0.750001 0.466207 0.250000 O\n0.750000 0.966207 0.250001 O\n0.250000 0.033793 0.750000 O\n0.250000 0.533791 0.750001 O\n0.750001 0.157566 0.250001 F\n0.750000 0.657575 0.250000 F\n0.250000 0.342423 0.750000 F\n0.250000 0.842433 0.750000 F\n","nsites":12,"nelements":3,"elements":["Cr","O","F"],"chemical_system":"Cr-F-O","density":3.535794000583721,"density_atomic":0.0734294533087594,"volume":163.4221618066782,"volume_molar":8.201260514194267,"formula_full":"Cr4 O4 F4","formula_reduced":"CrOF","formula_anonymous":"ABC","energy":-97.8850219,"energy_per_atom":-8.157085158333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.2930219,"band_gap":2.1361000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.539000Z","spacegroup":59},{"id":"mp-7030","created_at":"2022-09-04T14:39:15.734168Z","structure_string":"La2 Si2 Ni2\n1.0\n-2.090827 2.090827 7.009860\n2.090827 -2.090827 7.009860\n2.090827 2.090827 -7.009860\nLa Si Ni\n2 2 2\ndirect\n0.751782 0.751782 0.000000 La\n0.501782 0.001782 0.500000 La\n0.331451 0.331451 0.000000 Si\n0.081451 0.581451 0.500000 Si\n0.912767 0.412767 0.500000 Ni\n0.162767 0.162767 0.000000 Ni\n","nsites":6,"nelements":3,"elements":["La","Si","Ni"],"chemical_system":"La-Ni-Si","density":6.11469839556342,"density_atomic":0.04894921317203471,"volume":122.57602545954455,"volume_molar":12.302834651978682,"formula_full":"La2 Si2 Ni2","formula_reduced":"LaSiNi","formula_anonymous":"ABC","energy":-36.49193333,"energy_per_atom":-6.081988888333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.63393333,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.06e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.988000Z","spacegroup":109},{"id":"mp-625547","created_at":"2022-09-04T14:39:15.741562Z","structure_string":"Mo2 H4 O8\n1.0\n7.739110 0.081741 0.241494\n-2.716654 5.657107 -1.753297\n0.008458 -0.063687 3.767803\nMo H O\n2 4 8\ndirect\n0.795911 0.948312 0.737729 Mo\n0.208296 0.079270 0.274304 Mo\n0.120734 0.591193 0.043266 H\n0.893962 0.528345 0.535515 H\n0.670886 0.439147 0.474769 H\n0.313775 0.524690 0.494006 H\n0.550825 0.788921 0.670084 O\n0.452749 0.212184 0.332472 O\n0.126968 0.044086 0.760587 O\n0.876233 0.943237 0.229857 O\n0.826514 0.239255 0.880574 O\n0.181139 0.763779 0.115601 O\n0.792909 0.581454 0.562704 O\n0.190996 0.382535 0.417007 O\n","nsites":14,"nelements":3,"elements":["Mo","H","O"],"chemical_system":"H-Mo-O","density":3.2605565479508614,"density_atomic":0.08486925595016408,"volume":164.95961751120942,"volume_molar":7.095785974059028,"formula_full":"Mo2 H4 O8","formula_reduced":"Mo(HO2)2","formula_anonymous":"AB2C4","energy":-96.70957204,"energy_per_atom":-6.907826574285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.80957204,"band_gap":2.4619,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021346,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.189000Z","spacegroup":1},{"id":"mp-1191418","created_at":"2022-09-04T14:39:15.749927Z","structure_string":"Rb8 Sn2 Te8 O4\n1.0\n3.816959 9.368532 0.000000\n-3.816959 9.368532 0.000000\n0.000000 9.122279 12.239144\nRb Sn Te O\n8 2 8 4\ndirect\n0.596334 0.816123 0.677354 Rb\n0.183877 0.403666 0.822646 Rb\n0.403666 0.183877 0.322646 Rb\n0.816123 0.596334 0.177354 Rb\n0.706922 0.118871 0.004507 Rb\n0.881129 0.293078 0.495493 Rb\n0.293078 0.881129 0.995493 Rb\n0.118871 0.706922 0.504507 Rb\n0.125535 0.874465 0.750000 Sn\n0.874465 0.125535 0.250000 Sn\n0.045320 0.227706 0.726414 Te\n0.772294 0.954680 0.773586 Te\n0.954680 0.772294 0.273586 Te\n0.227706 0.045320 0.226414 Te\n0.243290 0.615547 0.939253 Te\n0.384453 0.756710 0.560747 Te\n0.756710 0.384453 0.060747 Te\n0.615547 0.243290 0.439253 Te\n0.883923 0.747717 0.720964 O\n0.252283 0.116077 0.779036 O\n0.116077 0.252283 0.279036 O\n0.747717 0.883923 0.220964 O\n","nsites":22,"nelements":4,"elements":["Rb","Sn","Te","O"],"chemical_system":"O-Rb-Sn-Te","density":3.8054085221710365,"density_atomic":0.02513347858931464,"volume":875.3265061109837,"volume_molar":23.960633776178835,"formula_full":"Rb8 Sn2 Te8 O4","formula_reduced":"Rb4Sn(Te2O)2","formula_anonymous":"AB2C4D4","energy":-85.76604286999999,"energy_per_atom":-3.8984564940909086,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.64204287,"band_gap":1.1729999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027947,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.597000Z","spacegroup":15},{"id":"mp-1185539","created_at":"2022-09-04T14:39:15.751048Z","structure_string":"Ce1 Gd3\n1.0\n5.029572 0.000000 0.000000\n0.000000 5.029572 0.000000\n0.000000 0.000000 5.029572\nCe Gd\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Gd\n0.500000 0.000000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n","nsites":4,"nelements":2,"elements":["Ce","Gd"],"chemical_system":"Ce-Gd","density":7.985687842404764,"density_atomic":0.03143886816329156,"volume":127.23104340856815,"volume_molar":19.15508131120169,"formula_full":"Ce1 Gd3","formula_reduced":"CeGd3","formula_anonymous":"AB3","energy":-47.84684968,"energy_per_atom":-11.96171242,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.84684968,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.8991797,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.020000Z","spacegroup":221},{"id":"mp-1225618","created_at":"2022-09-04T14:39:15.641520Z","structure_string":"Er2 Ga6 Cu11\n1.0\n4.891964 -4.371610 0.000000\n4.891964 4.371610 0.000000\n0.985359 0.000000 6.486243\nEr Ga Cu\n2 6 11\ndirect\n0.660540 0.660540 0.660540 Er\n0.339460 0.339460 0.339460 Er\n0.343943 0.853513 0.343943 Ga\n0.343943 0.343943 0.853513 Ga\n0.853513 0.343943 0.343943 Ga\n0.656057 0.146487 0.656057 Ga\n0.656057 0.656057 0.146487 Ga\n0.146487 0.656057 0.656057 Ga\n0.899695 0.899695 0.899695 Cu\n0.100305 0.100305 0.100305 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.704493 0.295507 0.000000 Cu\n0.000000 0.704493 0.295507 Cu\n0.295507 0.000000 0.704493 Cu\n0.000000 0.295507 0.704493 Cu\n0.704493 0.000000 0.295507 Cu\n0.295507 0.704493 0.000000 Cu\n","nsites":19,"nelements":3,"elements":["Er","Ga","Cu"],"chemical_system":"Cu-Er-Ga","density":8.690135779085733,"density_atomic":0.06848661905620397,"volume":277.4264558804915,"volume_molar":8.793164041369735,"formula_full":"Er2 Ga6 Cu11","formula_reduced":"Er2Ga6Cu11","formula_anonymous":"A2B6C11","energy":-77.03575211,"energy_per_atom":-4.054513268947368,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.03575211,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0257285,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.260000Z","spacegroup":166},{"id":"mp-1022584","created_at":"2022-09-04T14:39:15.643487Z","structure_string":"K1 Mg6 Zr1\n1.0\n3.332577 -5.772193 0.000000\n3.332577 5.772193 0.000000\n0.000000 0.000000 5.210529\nK Mg Zr\n1 6 1\ndirect\n0.000000 0.000000 0.500000 K\n0.645351 0.822675 0.000000 Mg\n0.177325 0.354649 0.000000 Mg\n0.177325 0.822675 0.000000 Mg\n0.979080 0.489540 0.500000 Mg\n0.510460 0.020920 0.500000 Mg\n0.510460 0.489540 0.500000 Mg\n0.666667 0.333333 0.000000 Zr\n","nsites":8,"nelements":3,"elements":["K","Mg","Zr"],"chemical_system":"K-Mg-Zr","density":2.287520067465111,"density_atomic":0.039907740308113185,"volume":200.46236490051558,"volume_molar":15.090157231417354,"formula_full":"K1 Mg6 Zr1","formula_reduced":"KMg6Zr","formula_anonymous":"ABC6","energy":-17.82125521,"energy_per_atom":-2.22765690125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.82125521,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1803896,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.257000Z","spacegroup":187},{"id":"mp-19474","created_at":"2022-09-04T14:39:15.647915Z","structure_string":"Ba8 V8 O28\n1.0\n7.498268 0.000000 0.000000\n0.070553 7.519591 0.000000\n0.466678 2.068339 13.606344\nBa V O\n8 8 28\ndirect\n0.584289 0.333733 0.156955 Ba\n0.415711 0.666267 0.843045 Ba\n0.168012 0.717482 0.139860 Ba\n0.831988 0.282518 0.860140 Ba\n0.268221 0.268185 0.652339 Ba\n0.731779 0.731815 0.347661 Ba\n0.862237 0.871744 0.639744 Ba\n0.137763 0.128256 0.360256 Ba\n0.341972 0.191307 0.914501 V\n0.658028 0.808693 0.085499 V\n0.071314 0.199105 0.107050 V\n0.928686 0.800895 0.892950 V\n0.329877 0.806048 0.586984 V\n0.670123 0.193952 0.413016 V\n0.271782 0.602747 0.394089 V\n0.728218 0.397253 0.605911 V\n0.798802 0.662373 0.834206 O\n0.201198 0.337627 0.165794 O\n0.793842 0.916879 0.978408 O\n0.206158 0.083121 0.021592 O\n0.564227 0.957334 0.153644 O\n0.435773 0.042666 0.846356 O\n0.187302 0.986874 0.555210 O\n0.812698 0.013126 0.444790 O\n0.409908 0.569040 0.296037 O\n0.590092 0.430960 0.703963 O\n0.804491 0.596150 0.542865 O\n0.195509 0.403850 0.457135 O\n0.207416 0.649497 0.663179 O\n0.792584 0.350503 0.336821 O\n0.792749 0.663299 0.160160 O\n0.207251 0.336701 0.839840 O\n0.994955 0.031348 0.196453 O\n0.005045 0.968652 0.803547 O\n0.502072 0.125490 0.346565 O\n0.497928 0.874510 0.653435 O\n0.900459 0.262264 0.654527 O\n0.099541 0.737736 0.345473 O\n0.592884 0.279626 0.526190 O\n0.407116 0.720374 0.473810 O\n0.507337 0.323295 0.951427 O\n0.492663 0.676705 0.048573 O\n0.895278 0.311966 0.050583 O\n0.104722 0.688034 0.949417 O\n","nsites":44,"nelements":3,"elements":["Ba","V","O"],"chemical_system":"Ba-O-V","density":4.229667141226877,"density_atomic":0.057352988358896816,"volume":767.1788560460346,"volume_molar":10.500134225465903,"formula_full":"Ba8 V8 O28","formula_reduced":"Ba2V2O7","formula_anonymous":"A2B2C7","energy":-355.15771771,"energy_per_atom":-8.071766311590908,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-322.32171771,"band_gap":3.2509,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003881,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.481000Z","spacegroup":2}]}