{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10178","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10176","results":[{"id":"mp-753648","created_at":"2022-09-04T14:44:15.247770Z","structure_string":"Li2 Fe4 P4 O16\n1.0\n6.888298 0.000000 0.000000\n0.000000 5.193536 0.000000\n0.000000 0.171071 10.402368\nLi Fe P O\n2 4 4 16\ndirect\n0.751003 0.261959 0.640174 Li\n0.248997 0.261959 0.140174 Li\n0.772756 0.758113 0.835794 Fe\n0.246723 0.246359 0.673860 Fe\n0.227244 0.758113 0.335794 Fe\n0.753277 0.246359 0.173860 Fe\n0.513498 0.252240 0.909513 P\n0.019638 0.745657 0.596276 P\n0.486502 0.252240 0.409513 P\n0.980362 0.745657 0.096277 P\n0.989412 0.796828 0.947937 O\n0.562249 0.965294 0.879361 O\n0.681472 0.408036 0.836833 O\n0.316901 0.322942 0.852607 O\n0.836211 0.878531 0.660911 O\n0.205044 0.862608 0.649649 O\n0.003447 0.451624 0.626535 O\n0.486247 0.304276 0.555209 O\n0.010588 0.796828 0.447937 O\n0.437751 0.965294 0.379361 O\n0.318528 0.408036 0.336833 O\n0.683099 0.322942 0.352607 O\n0.163789 0.878531 0.160911 O\n0.794956 0.862608 0.149649 O\n0.996553 0.451624 0.126535 O\n0.513753 0.304276 0.055209 O\n","nsites":26,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.753789551570867,"density_atomic":0.06986602916753995,"volume":372.1408001827548,"volume_molar":8.619554927844549,"formula_full":"Li2 Fe4 P4 O16","formula_reduced":"LiFe2(PO4)2","formula_anonymous":"AB2C2D8","energy":-200.02267575,"energy_per_atom":-7.693179836538461,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.00667575,"band_gap":1.0865999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":17.9999949,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.412000Z","spacegroup":7},{"id":"mp-753649","created_at":"2022-09-04T14:41:35.212707Z","structure_string":"Li2 Zr2 P2 C2 O14\n1.0\n6.630930 0.000000 0.000000\n0.000000 5.682707 0.000000\n0.000000 0.250606 8.895712\nLi Zr P C O\n2 2 2 2 14\ndirect\n0.432383 0.745871 0.843559 Li\n0.932383 0.254129 0.156441 Li\n0.254638 0.203927 0.658376 Zr\n0.754638 0.796073 0.341624 Zr\n0.758233 0.278641 0.551826 P\n0.258233 0.721359 0.448174 P\n0.256052 0.261646 0.947550 C\n0.756052 0.738354 0.052450 C\n0.706657 0.705985 0.921181 O\n0.273607 0.051430 0.884598 O\n0.285347 0.436305 0.843658 O\n0.942348 0.213792 0.650327 O\n0.568039 0.197793 0.636249 O\n0.273548 0.849142 0.600792 O\n0.751296 0.546140 0.516843 O\n0.251296 0.453860 0.483157 O\n0.773548 0.150858 0.399208 O\n0.068039 0.802207 0.363751 O\n0.442348 0.786208 0.349673 O\n0.785347 0.563695 0.156342 O\n0.773607 0.948570 0.115402 O\n0.206657 0.294015 0.078819 O\n","nsites":22,"nelements":5,"elements":["Li","Zr","P","C","O"],"chemical_system":"C-Li-O-P-Zr","density":2.5080631923004297,"density_atomic":0.0656314892539861,"volume":335.20494887541867,"volume_molar":9.175688116256248,"formula_full":"Li2 Zr2 P2 C2 O14","formula_reduced":"LiZrPCO7","formula_anonymous":"ABCDE7","energy":-180.06122564999998,"energy_per_atom":-8.18460116590909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.44322565,"band_gap":4.1552,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013718,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.641000Z","spacegroup":4},{"id":"mp-753650","created_at":"2022-09-04T14:42:00.949996Z","structure_string":"Ba2 La2 Cl10\n1.0\n4.575135 0.000000 0.000000\n0.000000 7.779292 0.000000\n0.000000 0.667228 13.046642\nBa La Cl\n2 2 10\ndirect\n0.250000 0.944711 0.843238 Ba\n0.750000 0.055289 0.156762 Ba\n0.750000 0.563552 0.653859 La\n0.250000 0.436448 0.346141 La\n0.750000 0.920572 0.660297 Cl\n0.250000 0.845174 0.075588 Cl\n0.250000 0.670429 0.520186 Cl\n0.750000 0.637298 0.858564 Cl\n0.750000 0.637182 0.282940 Cl\n0.250000 0.362818 0.717060 Cl\n0.250000 0.362702 0.141436 Cl\n0.750000 0.329571 0.479814 Cl\n0.750000 0.154826 0.924412 Cl\n0.250000 0.079428 0.339703 Cl\n","nsites":14,"nelements":3,"elements":["Ba","La","Cl"],"chemical_system":"Ba-Cl-La","density":3.2434800380982645,"density_atomic":0.030149860249274588,"volume":464.34709428999236,"volume_molar":19.974025452223756,"formula_full":"Ba2 La2 Cl10","formula_reduced":"BaLaCl5","formula_anonymous":"ABC5","energy":-71.88459135,"energy_per_atom":-5.134613667857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.74459135,"band_gap":3.2795,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0051759,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.959000Z","spacegroup":11},{"id":"mp-753651","created_at":"2022-09-04T14:41:12.744076Z","structure_string":"Sr1 La2 Cl8\n1.0\n6.353587 4.358241 0.000000\n-6.353587 4.358241 0.000000\n0.000000 1.392620 5.359950\nSr La Cl\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.317973 0.682027 0.500000 La\n0.682027 0.317973 0.500000 La\n0.677861 0.938380 0.578056 Cl\n0.938380 0.677861 0.578056 Cl\n0.629204 0.629204 0.188132 Cl\n0.761501 0.238499 0.000000 Cl\n0.238499 0.761501 0.000000 Cl\n0.370796 0.370796 0.811868 Cl\n0.322139 0.061620 0.421944 Cl\n0.061620 0.322139 0.421944 Cl\n","nsites":11,"nelements":3,"elements":["Sr","La","Cl"],"chemical_system":"Cl-La-Sr","density":3.630860806213532,"density_atomic":0.03705712547044995,"volume":296.83899817787017,"volume_molar":16.250965728041066,"formula_full":"Sr1 La2 Cl8","formula_reduced":"SrLa2Cl8","formula_anonymous":"AB2C8","energy":-57.21715581,"energy_per_atom":-5.201559619090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.30515581,"band_gap":3.4631,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.615000Z","spacegroup":12},{"id":"mp-753652","created_at":"2022-09-04T14:48:14.510817Z","structure_string":"Na3 Ni2 P2 C2 O14\n1.0\n8.861891 -0.004991 0.069698\n0.150884 5.169338 -0.001036\n0.053721 -0.002759 6.512701\nNa Ni P C O\n3 2 2 2 14\ndirect\n0.255864 0.244612 0.473784 Na\n0.744786 0.753030 0.512379 Na\n0.746491 0.753838 0.985732 Na\n0.342474 0.782948 0.759313 Ni\n0.653402 0.220714 0.250053 Ni\n0.422107 0.718925 0.251950 P\n0.573409 0.280147 0.751682 P\n0.070410 0.710902 0.749284 C\n0.927599 0.284282 0.247509 C\n0.065018 0.321473 0.250752 O\n0.127319 0.938761 0.751805 O\n0.172696 0.526217 0.752178 O\n0.323978 0.785028 0.066633 O\n0.321088 0.789510 0.441336 O\n0.425357 0.134848 0.745096 O\n0.465218 0.424694 0.259792 O\n0.538712 0.579375 0.751744 O\n0.572714 0.866264 0.251105 O\n0.677747 0.212076 0.563529 O\n0.673204 0.207903 0.937286 O\n0.826162 0.474023 0.246271 O\n0.868329 0.056919 0.246058 O\n0.931206 0.672497 0.744886 O\n","nsites":23,"nelements":5,"elements":["Na","Ni","P","C","O"],"chemical_system":"C-Na-Ni-O-P","density":2.762527229414547,"density_atomic":0.07709504692148393,"volume":298.33304367041814,"volume_molar":7.811319923228196,"formula_full":"Na3 Ni2 P2 C2 O14","formula_reduced":"Na3Ni2P2(CO7)2","formula_anonymous":"A2B2C2D3E14","energy":-159.08341109,"energy_per_atom":-6.916670047391304,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.38341109,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9998517,"is_theoretical":true,"updated_at":"2021-11-28T01:38:42.463000Z","spacegroup":1},{"id":"mp-753653","created_at":"2022-09-04T14:41:16.958498Z","structure_string":"Li1 Ti2 P4 H3 O16\n1.0\n5.021724 0.000000 0.000000\n-1.577019 7.257560 0.000000\n-0.331090 -0.098988 8.060824\nLi Ti P H O\n1 2 4 3 16\ndirect\n0.393222 0.850656 0.121266 Li\n0.984683 0.485869 0.001846 Ti\n0.493887 0.006102 0.505179 Ti\n0.100654 0.250678 0.665220 P\n0.388378 0.236529 0.153067 P\n0.607086 0.753876 0.843978 P\n0.896415 0.751287 0.332234 P\n0.407202 0.429977 0.553069 H\n0.596071 0.573518 0.450659 H\n0.938533 0.975577 0.980346 H\n0.146110 0.858565 0.432327 O\n0.030135 0.306044 0.837513 O\n0.200532 0.377549 0.162958 O\n0.218740 0.436948 0.571403 O\n0.348485 0.667322 0.935031 O\n0.541912 0.816684 0.666931 O\n0.256397 0.062974 0.057404 O\n0.326314 0.138252 0.667853 O\n0.661916 0.856623 0.321691 O\n0.736465 0.930348 0.953331 O\n0.466877 0.184594 0.334142 O\n0.656828 0.344439 0.073996 O\n0.780721 0.564053 0.425189 O\n0.804201 0.621293 0.835909 O\n0.991636 0.697051 0.164430 O\n0.846848 0.147937 0.567792 O\n","nsites":26,"nelements":5,"elements":["Li","Ti","P","H","O"],"chemical_system":"H-Li-O-P-Ti","density":2.7446741494537616,"density_atomic":0.0885014598383677,"volume":293.7804647232307,"volume_molar":6.804566581159653,"formula_full":"Li1 Ti2 P4 H3 O16","formula_reduced":"LiTi2P4H3O16","formula_anonymous":"AB2C3D4E16","energy":-196.64429012,"energy_per_atom":-7.5632419276923075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.65229012,"band_gap":2.3456,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011331,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.889000Z","spacegroup":1},{"id":"mp-753654","created_at":"2022-09-04T14:48:03.490131Z","structure_string":"Li1 Sn1 P1 O4\n1.0\n-2.632791 2.632791 3.843423\n2.632791 -2.632791 3.843423\n2.632791 2.632791 -3.843423\nLi Sn P O\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Sn\n0.250000 0.750000 0.500000 P\n0.341558 0.769938 0.839599 O\n0.498041 0.658442 0.428381 O\n0.930339 0.501959 0.160401 O\n0.230062 0.069661 0.571619 O\n","nsites":7,"nelements":4,"elements":["Li","Sn","P","O"],"chemical_system":"Li-O-P-Sn","density":3.4378560021286875,"density_atomic":0.06568815963999647,"volume":106.5641058961532,"volume_molar":9.167772081002576,"formula_full":"Li1 Sn1 P1 O4","formula_reduced":"LiSnPO4","formula_anonymous":"ABCD4","energy":-47.78094052,"energy_per_atom":-6.825848645714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.03294052,"band_gap":2.7177,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.675000Z","spacegroup":82},{"id":"mp-753655","created_at":"2022-09-04T14:42:47.059869Z","structure_string":"Li1 Ti2 Mn3 O10\n1.0\n5.021443 0.000000 0.000000\n0.708280 5.035752 0.000000\n2.237002 1.765088 7.396527\nLi Ti Mn O\n1 2 3 10\ndirect\n0.676271 0.500564 0.455701 Li\n0.124062 0.985531 0.317038 Ti\n0.893329 0.992016 0.673560 Ti\n0.009628 0.502205 0.997032 Mn\n0.704578 0.017021 0.094229 Mn\n0.312148 0.994082 0.895783 Mn\n0.045170 0.785587 0.122270 O\n0.363729 0.211051 0.053141 O\n0.092315 0.217965 0.469077 O\n0.195947 0.757084 0.784090 O\n0.477987 0.817154 0.305636 O\n0.547898 0.182489 0.685246 O\n0.818614 0.250932 0.211269 O\n0.900846 0.768542 0.518998 O\n0.651095 0.793931 0.940832 O\n0.969096 0.220760 0.873470 O\n","nsites":16,"nelements":4,"elements":["Li","Ti","Mn","O"],"chemical_system":"Li-Mn-O-Ti","density":3.795310964315868,"density_atomic":0.08554591277798129,"volume":187.03406720932492,"volume_molar":7.039659247811594,"formula_full":"Li1 Ti2 Mn3 O10","formula_reduced":"LiTi2Mn3O10","formula_anonymous":"AB2C3D10","energy":-134.49729107,"energy_per_atom":-8.406080691875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.62329107,"band_gap":1.2383,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0023193,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.949000Z","spacegroup":1},{"id":"mp-753656","created_at":"2022-09-04T14:43:34.665063Z","structure_string":"Sb4 O4 F4\n1.0\n3.459083 0.000000 0.000000\n0.000000 6.769159 0.000000\n0.000000 0.000000 8.267161\nSb O F\n4 4 4\ndirect\n0.750000 0.192119 0.074849 Sb\n0.250000 0.307881 0.574849 Sb\n0.750000 0.692119 0.425151 Sb\n0.250000 0.807881 0.925151 Sb\n0.750000 0.003231 0.880043 O\n0.250000 0.496769 0.380043 O\n0.750000 0.503231 0.619957 O\n0.250000 0.996769 0.119957 O\n0.750000 0.170245 0.426429 F\n0.250000 0.329755 0.926429 F\n0.750000 0.670245 0.073571 F\n0.250000 0.829755 0.573571 F\n","nsites":12,"nelements":3,"elements":["Sb","O","F"],"chemical_system":"F-O-Sb","density":5.378809506193075,"density_atomic":0.06199107282216894,"volume":193.5762595111698,"volume_molar":9.71452902142128,"formula_full":"Sb4 O4 F4","formula_reduced":"SbOF","formula_anonymous":"ABC","energy":-69.19246709000001,"energy_per_atom":-5.766038924166668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.59646709,"band_gap":2.9618999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023858,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.676000Z","spacegroup":62},{"id":"mp-753657","created_at":"2022-09-04T14:44:57.047409Z","structure_string":"Ti1 O1 F1\n1.0\n2.882854 0.000000 0.000000\n0.000000 2.882854 0.000000\n0.000000 0.000000 3.968788\nTi O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 F\n","nsites":3,"nelements":3,"elements":["Ti","O","F"],"chemical_system":"F-O-Ti","density":4.171728179175437,"density_atomic":0.09095321540376819,"volume":32.983990578915915,"volume_molar":6.621141136424851,"formula_full":"Ti1 O1 F1","formula_reduced":"TiOF","formula_anonymous":"ABC","energy":-25.1449414,"energy_per_atom":-8.381647133333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.9959414,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.007458,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.478000Z","spacegroup":123},{"id":"mp-753658","created_at":"2022-09-04T14:42:48.589004Z","structure_string":"Al1 Cr1 O4\n1.0\n3.120745 -3.195749 0.000000\n3.120745 3.195749 0.000000\n0.000000 0.000000 2.903429\nAl Cr O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cr\n0.302456 0.697544 0.000000 O\n0.802632 0.802632 0.500000 O\n0.697544 0.302456 0.000000 O\n0.197368 0.197368 0.500000 O\n","nsites":6,"nelements":3,"elements":["Al","Cr","O"],"chemical_system":"Al-Cr-O","density":4.099564997157099,"density_atomic":0.10360461455252608,"volume":57.91247837670478,"volume_molar":5.812618275749543,"formula_full":"Al1 Cr1 O4","formula_reduced":"AlCrO4","formula_anonymous":"ABC4","energy":-47.50369806,"energy_per_atom":-7.917283009999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.75669806,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999754,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.753000Z","spacegroup":65},{"id":"mp-753659","created_at":"2022-09-04T14:43:10.610203Z","structure_string":"Li8 Mn4 O8 F4\n1.0\n0.000028 -3.915386 -0.000168\n0.000351 -0.000168 -3.917786\n15.155318 -0.000107 -0.001326\nLi Mn O F\n8 4 8 4\ndirect\n0.500231 0.500392 0.003036 Li\n0.999904 0.499958 0.502961 Li\n0.499935 0.999963 0.163941 Li\n0.000004 0.999736 0.663828 Li\n0.499915 0.499981 0.313537 Li\n0.999958 0.500018 0.813404 Li\n0.999914 0.999978 0.353275 Li\n0.500016 0.999962 0.853158 Li\n0.499934 0.000010 0.502322 Mn\n0.999922 0.500018 0.163967 Mn\n0.000188 0.000373 0.002482 Mn\n0.500113 0.499555 0.664150 Mn\n0.999896 0.999944 0.486516 O\n0.500261 0.000435 0.986410 O\n0.499918 0.499968 0.180200 O\n0.000030 0.499714 0.680158 O\n0.000240 0.500408 0.016164 O\n0.499897 0.499926 0.516250 O\n0.999942 0.000058 0.150238 O\n0.499993 0.999648 0.650233 O\n0.999900 0.499985 0.319781 F\n0.499969 0.499973 0.819637 F\n0.499898 0.999976 0.347227 F\n0.000014 0.000019 0.847125 F\n","nsites":24,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":3.423324648008858,"density_atomic":0.10323593579882177,"volume":232.47718746667195,"volume_molar":5.833376443388359,"formula_full":"Li8 Mn4 O8 F4","formula_reduced":"Li2MnO2F","formula_anonymous":"ABC2D2","energy":-157.24552783,"energy_per_atom":-6.551896992916666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.22952783,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.82e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.914000Z","spacegroup":63}]}