{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10255","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10253","results":[{"id":"mp-754609","created_at":"2022-09-04T14:39:14.380825Z","structure_string":"V6 O3 F15\n1.0\n5.239004 0.000000 0.000000\n-0.026565 5.413817 0.000000\n-2.575897 -2.142217 11.382794\nV O F\n6 3 15\ndirect\n0.168336 0.168768 0.334373 V\n0.319053 0.311962 0.670383 V\n0.519375 0.476912 0.003330 V\n0.652213 0.643538 0.335718 V\n0.999901 0.000498 0.000194 V\n0.834904 0.834069 0.666228 V\n0.146917 0.067135 0.692079 O\n0.709761 0.233576 0.024545 O\n0.479213 0.399102 0.357800 O\n0.818705 0.914558 0.833067 F\n0.616509 0.118592 0.633469 F\n0.516770 0.603569 0.636859 F\n0.514916 0.428362 0.833197 F\n0.155635 0.263687 0.500798 F\n0.814236 0.722598 0.035931 F\n0.947652 0.450718 0.297639 F\n0.288673 0.771036 0.971813 F\n0.182666 0.285357 0.964655 F\n0.850882 0.938185 0.305797 F\n0.056015 0.556461 0.701394 F\n0.850453 0.745062 0.498968 F\n0.485698 0.592482 0.165967 F\n0.390705 0.890067 0.369123 F\n0.180809 0.083704 0.166672 F\n","nsites":24,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.284676806630207,"density_atomic":0.07433786157739208,"volume":322.8502877368075,"volume_molar":8.101041154823152,"formula_full":"V6 O3 F15","formula_reduced":"V2OF5","formula_anonymous":"AB2C5","energy":-171.02836639,"energy_per_atom":-7.1261819329166665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-151.83736639,"band_gap":1.5188,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.000588,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.447000Z","spacegroup":1},{"id":"mp-754610","created_at":"2022-09-04T14:45:03.090279Z","structure_string":"Sr3 Ca1 I8\n1.0\n5.664109 5.645719 0.000000\n-5.664109 5.645719 0.000000\n0.000000 5.613845 7.997305\nSr Ca I\n3 1 8\ndirect\n0.749532 0.246614 0.498036 Sr\n0.498230 0.498230 0.000343 Sr\n0.246614 0.749532 0.498036 Sr\n0.999472 0.999472 0.000479 Ca\n0.876272 0.876272 0.749814 I\n0.872726 0.364552 0.755148 I\n0.629565 0.629565 0.246062 I\n0.624855 0.118975 0.247426 I\n0.370624 0.370624 0.750603 I\n0.364552 0.872726 0.755148 I\n0.120236 0.120236 0.242644 I\n0.118975 0.624855 0.247426 I\n","nsites":12,"nelements":3,"elements":["Sr","Ca","I"],"chemical_system":"Ca-I-Sr","density":4.279541514907839,"density_atomic":0.023461551593876268,"volume":511.4751235434973,"volume_molar":25.668126576811087,"formula_full":"Sr3 Ca1 I8","formula_reduced":"Sr3CaI8","formula_anonymous":"AB3C8","energy":-41.65077803,"energy_per_atom":-3.4708981691666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.61877803,"band_gap":2.9295,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003303,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.969000Z","spacegroup":8},{"id":"mp-754611","created_at":"2022-09-04T14:44:08.415404Z","structure_string":"Nb1 V1 O4\n1.0\n5.677689 0.256959 -0.000059\n2.715884 4.992620 0.000041\n-4.196817 -2.624750 2.792707\nNb V O\n1 1 4\ndirect\n0.999998 0.000000 0.000000 Nb\n0.750005 0.249999 0.500000 V\n0.536176 0.036175 0.500001 O\n0.205139 0.205143 0.000001 O\n0.963824 0.463823 0.499999 O\n0.794858 0.794861 0.999999 O\n","nsites":6,"nelements":3,"elements":["Nb","V","O"],"chemical_system":"Nb-O-V","density":4.469834247142753,"density_atomic":0.07770571970907782,"volume":77.21439325783713,"volume_molar":7.749932414944836,"formula_full":"Nb1 V1 O4","formula_reduced":"NbVO4","formula_anonymous":"ABC4","energy":-55.77849671,"energy_per_atom":-9.296416118333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.33049671,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999937,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.343000Z","spacegroup":119},{"id":"mp-754612","created_at":"2022-09-04T14:43:09.952436Z","structure_string":"Mn6 O7 F5\n1.0\n9.134986 0.000000 0.000000\n0.000000 4.746118 0.000000\n0.000000 0.461280 4.742216\nMn O F\n6 7 5\ndirect\n0.175213 0.981400 0.989635 Mn\n0.824787 0.981400 0.989635 Mn\n0.500000 0.014344 0.968476 Mn\n0.325141 0.509377 0.523114 Mn\n0.000000 0.488178 0.495030 Mn\n0.674859 0.509377 0.523114 Mn\n0.656642 0.825151 0.817552 O\n0.343358 0.825151 0.817552 O\n0.166079 0.300061 0.699442 O\n0.833921 0.300061 0.699442 O\n0.500000 0.321018 0.696620 O\n0.168088 0.689819 0.309296 O\n0.831912 0.689819 0.309296 O\n0.000000 0.793668 0.801494 F\n0.500000 0.709925 0.305115 F\n0.000000 0.163058 0.171423 F\n0.650285 0.199098 0.191881 F\n0.349715 0.199098 0.191881 F\n","nsites":18,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.333961365238687,"density_atomic":0.08754770299226466,"volume":205.6021961146188,"volume_molar":6.878696475374221,"formula_full":"Mn6 O7 F5","formula_reduced":"Mn6O7F5","formula_anonymous":"A5B6C7","energy":-139.46070835,"energy_per_atom":-7.747817130555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.33370835,"band_gap":0.1848,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":22.9982959,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.816000Z","spacegroup":6},{"id":"mp-754613","created_at":"2022-09-04T14:47:18.277641Z","structure_string":"K4 Er2 P2 C2 O14\n1.0\n7.121889 0.000000 0.000000\n0.000000 5.774024 0.000000\n0.000000 0.344321 9.848240\nK Er P C O\n4 2 2 2 14\ndirect\n0.488264 0.244008 0.773023 K\n0.011736 0.244008 0.773023 K\n0.511736 0.755992 0.226977 K\n0.988264 0.755992 0.226977 K\n0.750000 0.777586 0.636486 Er\n0.250000 0.222414 0.363514 Er\n0.250000 0.711483 0.571486 P\n0.750000 0.288517 0.428514 P\n0.750000 0.729106 0.913026 C\n0.250000 0.270894 0.086974 C\n0.250000 0.298517 0.960327 O\n0.750000 0.934780 0.849576 O\n0.750000 0.552196 0.829663 O\n0.068944 0.770332 0.650739 O\n0.431056 0.770332 0.650739 O\n0.750000 0.146591 0.567237 O\n0.250000 0.446069 0.542167 O\n0.750000 0.553931 0.457833 O\n0.250000 0.853409 0.432763 O\n0.568944 0.229668 0.349261 O\n0.931056 0.229668 0.349261 O\n0.250000 0.447804 0.170337 O\n0.250000 0.065220 0.150424 O\n0.750000 0.701483 0.039673 O\n","nsites":24,"nelements":5,"elements":["K","Er","P","C","O"],"chemical_system":"C-Er-K-O-P","density":3.283822308770372,"density_atomic":0.059262345032655636,"volume":404.97891176555964,"volume_molar":10.161833381182586,"formula_full":"K4 Er2 P2 C2 O14","formula_reduced":"K2ErPCO7","formula_anonymous":"ABCD2E7","energy":-179.20506193,"energy_per_atom":-7.466877580416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.58706193,"band_gap":4.4968,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002542,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.517000Z","spacegroup":11},{"id":"mp-754614","created_at":"2022-09-04T14:40:14.872413Z","structure_string":"Lu2 Nb2 O8\n1.0\n5.452448 0.000000 0.000000\n0.000000 5.084003 0.000000\n0.000000 0.472420 5.241434\nLu Nb O\n2 2 8\ndirect\n0.235322 0.500000 0.750000 Lu\n0.764678 0.500000 0.250000 Lu\n0.704961 0.000000 0.750000 Nb\n0.295039 0.000000 0.250000 Nb\n0.435268 0.761464 0.006974 O\n0.921731 0.746400 0.911506 O\n0.921731 0.253600 0.588494 O\n0.435268 0.238536 0.493026 O\n0.564732 0.761464 0.506974 O\n0.078269 0.746400 0.411506 O\n0.078269 0.253600 0.088494 O\n0.564732 0.238536 0.993026 O\n","nsites":12,"nelements":3,"elements":["Lu","Nb","O"],"chemical_system":"Lu-Nb-O","density":7.585791799182225,"density_atomic":0.0825912033764133,"volume":145.29392367985528,"volume_molar":7.291503833106548,"formula_full":"Lu2 Nb2 O8","formula_reduced":"LuNbO4","formula_anonymous":"ABC4","energy":-111.72934517,"energy_per_atom":-9.310778764166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.23334517,"band_gap":3.0656000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001423,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.632000Z","spacegroup":13},{"id":"mp-754615","created_at":"2022-09-04T14:42:24.040481Z","structure_string":"Li6 V2 Cr4 O12\n1.0\n0.000252 -1.549927 2.536017\n12.085320 -4.133407 -2.530444\n3.486870 4.116874 2.519617\nLi V Cr O\n6 2 4 12\ndirect\n0.000003 0.666607 0.166705 Li\n0.500003 0.166601 0.166716 Li\n0.999997 0.997196 0.501232 Li\n0.500078 0.497951 0.500773 Li\n0.000001 0.336024 0.832197 Li\n0.499926 0.835327 0.832625 Li\n0.499998 0.166677 0.666642 V\n0.000003 0.666684 0.666644 V\n0.500369 0.499552 0.000845 Cr\n0.499620 0.833810 0.332445 Cr\n0.999980 0.999437 0.000067 Cr\n0.000028 0.333931 0.333248 Cr\n0.000814 0.502865 0.766205 O\n0.500634 0.002733 0.765593 O\n0.999203 0.830526 0.567095 O\n0.499347 0.330642 0.567715 O\n0.000509 0.838471 0.097240 O\n0.500655 0.338669 0.097903 O\n0.999503 0.494899 0.236074 O\n0.499316 0.994703 0.235409 O\n0.000558 0.171909 0.427631 O\n0.497932 0.671766 0.427565 O\n0.999435 0.161435 0.905683 O\n0.502085 0.661585 0.905747 O\n","nsites":24,"nelements":4,"elements":["Li","V","Cr","O"],"chemical_system":"Cr-Li-O-V","density":4.036312910751988,"density_atomic":0.10733527385713218,"volume":223.59844194318657,"volume_molar":5.610588712910657,"formula_full":"Li6 V2 Cr4 O12","formula_reduced":"Li3VCr2O6","formula_anonymous":"AB2C3D6","energy":-186.0605534,"energy_per_atom":-7.752523058333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-166.4205534,"band_gap":1.874,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0002823,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.108000Z","spacegroup":12},{"id":"mp-754616","created_at":"2022-09-04T14:40:57.941444Z","structure_string":"Fe8 O8 F8\n1.0\n4.757432 0.000000 0.000000\n0.000000 4.743370 0.000000\n0.000000 0.000481 12.290491\nFe O F\n8 8 8\ndirect\n0.506147 0.796888 0.936916 Fe\n0.517583 0.770658 0.187879 Fe\n0.525496 0.778131 0.438341 Fe\n0.443553 0.732260 0.687089 Fe\n0.943553 0.267740 0.312911 Fe\n0.017583 0.229342 0.812121 Fe\n0.006147 0.203112 0.063084 Fe\n0.025496 0.221869 0.561659 Fe\n0.317769 0.940958 0.064969 O\n0.308394 0.930260 0.559868 O\n0.304507 0.936080 0.811912 O\n0.804507 0.063920 0.188088 O\n0.808394 0.069740 0.440132 O\n0.817769 0.059042 0.935031 O\n0.180442 0.424030 0.686795 O\n0.680442 0.575970 0.313205 O\n0.297008 0.965440 0.313176 F\n0.797008 0.034560 0.686824 F\n0.194055 0.453109 0.188667 F\n0.196411 0.453452 0.435543 F\n0.208637 0.445484 0.939377 F\n0.696411 0.546548 0.564457 F\n0.694055 0.546891 0.811333 F\n0.708637 0.554516 0.060623 F\n","nsites":24,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.351117250357134,"density_atomic":0.08653313074107129,"volume":277.3504182093444,"volume_molar":6.959346909589747,"formula_full":"Fe8 O8 F8","formula_reduced":"FeOF","formula_anonymous":"ABC","energy":-171.63186199,"energy_per_atom":-7.151327582916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.39186199,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0037886,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.001000Z","spacegroup":4},{"id":"mp-754617","created_at":"2022-09-04T14:46:21.401943Z","structure_string":"Na6 Fe2 O8\n1.0\n7.485529 0.000087 0.000005\n0.000071 5.986311 0.000077\n0.000004 0.000070 5.455893\nNa Fe O\n6 2 8\ndirect\n0.999999 0.155560 0.478524 Na\n0.243733 0.317528 0.985158 Na\n0.256272 0.682463 0.485149 Na\n0.499999 0.844440 0.978534 Na\n0.743729 0.682464 0.485148 Na\n0.756267 0.317529 0.985158 Na\n0.999999 0.813163 0.996608 Fe\n0.500001 0.186841 0.496610 Fe\n0.000001 0.091206 0.907516 O\n0.999996 0.803276 0.311978 O\n0.208284 0.698460 0.909887 O\n0.291720 0.301540 0.409890 O\n0.500004 0.196722 0.811996 O\n0.499998 0.908805 0.407525 O\n0.708287 0.301547 0.409893 O\n0.791710 0.698457 0.909890 O\n","nsites":16,"nelements":3,"elements":["Na","Fe","O"],"chemical_system":"Fe-Na-O","density":2.5648434169339014,"density_atomic":0.06544438119893138,"volume":244.48240944268042,"volume_molar":9.201921768798591,"formula_full":"Na6 Fe2 O8","formula_reduced":"Na3FeO4","formula_anonymous":"AB3C4","energy":-88.81010889,"energy_per_atom":-5.550631805625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.80210889,"band_gap":0.1439,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.999701,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.547000Z","spacegroup":31},{"id":"mp-754618","created_at":"2022-09-04T14:42:50.197684Z","structure_string":"Li4 Mn4 F16\n1.0\n4.844278 0.000000 0.000000\n0.000000 5.956357 0.000000\n0.000000 0.025551 10.500388\nLi Mn F\n4 4 16\ndirect\n0.508345 0.876936 0.853192 Li\n0.991655 0.876936 0.353192 Li\n0.008345 0.123064 0.646808 Li\n0.491655 0.123064 0.146808 Li\n0.031541 0.631671 0.634875 Mn\n0.468459 0.631671 0.134875 Mn\n0.531541 0.368329 0.865125 Mn\n0.968459 0.368329 0.365125 Mn\n0.250696 0.860981 0.703717 F\n0.249304 0.860981 0.203717 F\n0.818519 0.859001 0.565435 F\n0.681481 0.859001 0.065435 F\n0.313096 0.605958 0.937020 F\n0.186904 0.605958 0.437020 F\n0.758564 0.605431 0.800242 F\n0.741436 0.605431 0.300242 F\n0.258564 0.394569 0.699758 F\n0.241436 0.394569 0.199758 F\n0.813096 0.394042 0.562980 F\n0.686904 0.394042 0.062980 F\n0.318519 0.140999 0.934565 F\n0.181481 0.140999 0.434565 F\n0.750696 0.139019 0.796283 F\n0.749304 0.139019 0.296283 F\n","nsites":24,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.0225403799167494,"density_atomic":0.07921293714379743,"volume":302.980811788763,"volume_molar":7.602471234045826,"formula_full":"Li4 Mn4 F16","formula_reduced":"LiMnF4","formula_anonymous":"ABC4","energy":-144.52858037,"energy_per_atom":-6.0220241820833325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.46458037,"band_gap":1.8157,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9974236,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.506000Z","spacegroup":14},{"id":"mp-754619","created_at":"2022-09-04T14:46:22.811531Z","structure_string":"Li4 Cr2 P4 O14\n1.0\n-1.859990 -0.001351 4.946670\n-5.427836 0.000685 -4.676780\n-0.000405 -8.591330 0.000864\nLi Cr P O\n4 2 4 14\ndirect\n0.244195 0.904314 0.829185 Li\n0.755872 0.095720 0.329204 Li\n0.425657 0.638883 0.651846 Li\n0.574397 0.361068 0.151760 Li\n0.463059 0.271073 0.509772 Cr\n0.537055 0.728874 0.009892 Cr\n0.166828 0.926510 0.214662 P\n0.833033 0.073440 0.714645 P\n0.159544 0.521784 0.310905 P\n0.840544 0.478279 0.810983 P\n0.881640 0.928243 0.197994 O\n0.118289 0.071871 0.697883 O\n0.637658 0.887227 0.797344 O\n0.362263 0.112797 0.297307 O\n0.293862 0.896993 0.059511 O\n0.706124 0.102999 0.559487 O\n0.161944 0.747487 0.332383 O\n0.837924 0.252485 0.832243 O\n0.130137 0.615685 0.789987 O\n0.869896 0.384325 0.290002 O\n0.340358 0.520592 0.171568 O\n0.659827 0.479307 0.671521 O\n0.284475 0.481703 0.463020 O\n0.715416 0.518346 0.963005 O\n","nsites":24,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.6078684255526072,"density_atomic":0.07858322489652805,"volume":305.40869290616706,"volume_molar":7.663392241702297,"formula_full":"Li4 Cr2 P4 O14","formula_reduced":"Li2CrP2O7","formula_anonymous":"AB2C2D7","energy":-181.2313896,"energy_per_atom":-7.5513079,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.6153896,"band_gap":1.9725,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.315000Z","spacegroup":4},{"id":"mp-754620","created_at":"2022-09-04T14:39:13.674855Z","structure_string":"Li4 Ti1 Mn5 O12\n1.0\n4.419096 2.641918 0.000000\n-4.419096 2.641918 0.000000\n0.000000 0.372202 10.248866\nLi Ti Mn O\n4 1 5 12\ndirect\n0.642088 0.139354 0.750549 Li\n0.860646 0.357912 0.249451 Li\n0.139354 0.642088 0.750549 Li\n0.357912 0.860646 0.249451 Li\n0.000000 0.000000 0.000000 Ti\n0.835924 0.164076 0.500000 Mn\n0.335133 0.664867 0.000000 Mn\n0.664867 0.335133 0.000000 Mn\n0.164076 0.835924 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.693205 0.034828 0.110250 O\n0.965172 0.306795 0.889750 O\n0.528585 0.165442 0.392156 O\n0.165442 0.528585 0.392156 O\n0.834558 0.471415 0.607844 O\n0.169104 0.169104 0.590907 O\n0.471415 0.834558 0.607844 O\n0.034828 0.693205 0.110250 O\n0.323794 0.323794 0.093322 O\n0.306795 0.965172 0.889750 O\n0.676206 0.676206 0.906678 O\n0.830896 0.830896 0.409093 O\n","nsites":22,"nelements":4,"elements":["Li","Ti","Mn","O"],"chemical_system":"Li-Mn-O-Ti","density":3.763061818509096,"density_atomic":0.09193144788841565,"volume":239.30875130676841,"volume_molar":6.550686297587242,"formula_full":"Li4 Ti1 Mn5 O12","formula_reduced":"Li4TiMn5O12","formula_anonymous":"AB4C5D12","energy":-169.76976269,"energy_per_atom":-7.716807395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.18576269,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.9952427,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.957000Z","spacegroup":12}]}