{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10253","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10251","results":[{"id":"mp-754584","created_at":"2022-09-04T14:46:08.511044Z","structure_string":"Na10 Cu2 O8\n1.0\n5.396755 0.000000 0.000000\n0.000000 7.204615 0.000000\n0.000000 0.000000 7.475901\nNa Cu O\n10 2 8\ndirect\n0.758663 0.760284 0.804634 Na\n0.758663 0.239716 0.804634 Na\n0.324340 0.500000 0.000000 Na\n0.758663 0.239716 0.195366 Na\n0.758663 0.760284 0.195366 Na\n0.241337 0.260284 0.304634 Na\n0.241337 0.739716 0.304634 Na\n0.675660 0.000000 0.500000 Na\n0.241337 0.260284 0.695366 Na\n0.241337 0.739716 0.695366 Na\n0.287791 0.000000 0.000000 Cu\n0.712209 0.500000 0.500000 Cu\n0.468665 0.000000 0.772849 O\n0.098890 0.228625 0.000000 O\n0.098890 0.771375 0.000000 O\n0.468665 0.000000 0.227151 O\n0.531335 0.500000 0.272849 O\n0.901110 0.271375 0.500000 O\n0.901110 0.728625 0.500000 O\n0.531335 0.500000 0.727151 O\n","nsites":20,"nelements":3,"elements":["Na","Cu","O"],"chemical_system":"Cu-Na-O","density":2.7705773916009093,"density_atomic":0.06880547123079472,"volume":290.6745589011933,"volume_molar":8.752415545269484,"formula_full":"Na10 Cu2 O8","formula_reduced":"Na5CuO4","formula_anonymous":"AB4C5","energy":-88.08186183000001,"energy_per_atom":-4.4040930915,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.58586183,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.999734,"is_theoretical":true,"updated_at":"2021-11-28T01:37:23.850000Z","spacegroup":59},{"id":"mp-754585","created_at":"2022-09-04T14:45:07.764067Z","structure_string":"V4 O10\n1.0\n0.000000 4.901681 9.896255\n2.909374 0.000000 9.896255\n2.909374 4.901681 0.000000\nV O\n4 10\ndirect\n0.733203 0.919642 0.611007 V\n0.330358 0.516797 0.513852 V\n0.638993 0.513852 0.516797 V\n0.736148 0.611007 0.919642 V\n0.622805 0.877195 0.877195 O\n0.880749 0.736605 0.314333 O\n0.449123 0.275948 0.652465 O\n0.974052 0.800877 0.627536 O\n0.513395 0.369251 0.181687 O\n0.372805 0.627195 0.627195 O\n0.935667 0.181687 0.369251 O\n0.597535 0.627536 0.800877 O\n0.622464 0.652465 0.275948 O\n0.068313 0.314333 0.736605 O\n","nsites":14,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":2.1400236267358093,"density_atomic":0.04960010149586362,"volume":282.2574869361411,"volume_molar":12.141387977809305,"formula_full":"V4 O10","formula_reduced":"V2O5","formula_anonymous":"A2B5","energy":-117.69091391,"energy_per_atom":-8.406493850714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.02091391,"band_gap":2.5808,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000507,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.885000Z","spacegroup":43},{"id":"mp-754586","created_at":"2022-09-04T14:42:53.192900Z","structure_string":"Li8 Bi1 O6\n1.0\n5.625822 -2.825887 0.000000\n5.625822 2.825887 0.000000\n4.206360 0.000000 4.684234\nLi Bi O\n8 1 6\ndirect\n0.772805 0.103611 0.489227 Li\n0.896389 0.510773 0.227195 Li\n0.510773 0.227195 0.896389 Li\n0.348959 0.348959 0.348959 Li\n0.651041 0.651041 0.651041 Li\n0.489227 0.772805 0.103611 Li\n0.103611 0.489227 0.772805 Li\n0.227195 0.896389 0.510773 Li\n0.000000 0.000000 0.000000 Bi\n0.900908 0.242532 0.601097 O\n0.757468 0.398903 0.099092 O\n0.398903 0.099092 0.757468 O\n0.601097 0.900908 0.242532 O\n0.242532 0.601097 0.900908 O\n0.099092 0.757468 0.398903 O\n","nsites":15,"nelements":3,"elements":["Li","Bi","O"],"chemical_system":"Bi-Li-O","density":4.019303421292716,"density_atomic":0.10071215820929007,"volume":148.9393164311749,"volume_molar":5.979556854978107,"formula_full":"Li8 Bi1 O6","formula_reduced":"Li8BiO6","formula_anonymous":"AB6C8","energy":-78.41858599,"energy_per_atom":-5.227905732666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.29658599,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9370336,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.640000Z","spacegroup":148},{"id":"mp-754587","created_at":"2022-09-04T14:46:23.574642Z","structure_string":"K4 Be4 O6\n1.0\n8.187798 0.000000 0.000000\n0.000000 4.956229 0.000000\n0.000000 2.723950 5.832448\nK Be O\n4 4 6\ndirect\n0.354242 0.785463 0.920685 K\n0.145758 0.785463 0.420685 K\n0.854242 0.214537 0.579315 K\n0.645758 0.214537 0.079315 K\n0.509417 0.697173 0.503822 Be\n0.009417 0.302827 0.996178 Be\n0.990583 0.697173 0.003822 Be\n0.490583 0.302827 0.496178 Be\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.958888 0.610845 0.796936 O\n0.458888 0.389155 0.703064 O\n0.541112 0.610845 0.296936 O\n0.041112 0.389155 0.203064 O\n","nsites":14,"nelements":3,"elements":["K","Be","O"],"chemical_system":"Be-K-O","density":2.0236374462285283,"density_atomic":0.05915053485419314,"volume":236.6842503539518,"volume_molar":10.181041937904125,"formula_full":"K4 Be4 O6","formula_reduced":"K2Be2O3","formula_anonymous":"A2B2C3","energy":-82.48831128,"energy_per_atom":-5.892022234285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.36631128,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008395,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.618000Z","spacegroup":14},{"id":"mp-754588","created_at":"2022-09-04T14:45:01.610367Z","structure_string":"Zr2 Bi2 O8\n1.0\n-2.663104 2.663104 5.417682\n2.663104 -2.663104 5.417682\n2.663104 2.663104 -5.417682\nZr Bi O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.615903 0.586822 0.494198 O\n0.092625 0.121705 0.505802 O\n0.878295 0.384097 0.970920 O\n0.413178 0.907375 0.029080 O\n0.336822 0.342625 0.470920 O\n0.871705 0.865903 0.529080 O\n0.657375 0.128295 0.994198 O\n0.134097 0.663178 0.005802 O\n","nsites":12,"nelements":3,"elements":["Zr","Bi","O"],"chemical_system":"Bi-O-Zr","density":7.8699444074092195,"density_atomic":0.07807850535335573,"volume":153.69146662954472,"volume_molar":7.712930380449676,"formula_full":"Zr2 Bi2 O8","formula_reduced":"ZrBiO4","formula_anonymous":"ABC4","energy":-95.15668368,"energy_per_atom":-7.92972364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.66068368,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001881,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.924000Z","spacegroup":88},{"id":"mp-754589","created_at":"2022-09-04T14:44:58.053885Z","structure_string":"V4 O4 F4\n1.0\n4.729855 -0.000005 0.000014\n-0.000005 4.729839 -0.000051\n0.000023 -0.000074 6.228909\nV O F\n4 4 4\ndirect\n0.969907 0.969915 0.000000 V\n0.030081 0.030084 0.500000 V\n0.530083 0.469916 0.250002 V\n0.469912 0.530087 0.749999 V\n0.181244 0.818766 0.749990 O\n0.318754 0.318756 0.499998 O\n0.681239 0.681242 0.000004 O\n0.818762 0.181248 0.250012 O\n0.209300 0.790702 0.249985 F\n0.290721 0.290703 0.999993 F\n0.709296 0.709277 0.500006 F\n0.790699 0.209303 0.750013 F\n","nsites":12,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.0963282044569835,"density_atomic":0.08611426019191755,"volume":139.34974269367626,"volume_molar":6.993198044759167,"formula_full":"V4 O4 F4","formula_reduced":"VOF","formula_anonymous":"ABC","energy":-97.92158558,"energy_per_atom":-8.160132131666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.52558558,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000252,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.130000Z","spacegroup":92},{"id":"mp-754590","created_at":"2022-09-04T14:45:21.772953Z","structure_string":"Fe6 O6 F6\n1.0\n14.326334 0.056204 0.000000\n0.018783 4.768004 0.000000\n0.000000 0.000000 3.024638\nFe O F\n6 6 6\ndirect\n0.006284 0.009422 0.000000 Fe\n0.171496 0.436579 0.500000 Fe\n0.340966 0.014314 0.000000 Fe\n0.484749 0.508965 0.500000 Fe\n0.676894 0.004557 0.000000 Fe\n0.818108 0.504031 0.500000 Fe\n0.103684 0.283421 0.000000 O\n0.273934 0.175790 0.500000 O\n0.396940 0.815732 0.500000 O\n0.435635 0.329262 0.000000 O\n0.730616 0.816235 0.500000 O\n0.767442 0.313846 0.000000 O\n0.066114 0.779520 0.500000 F\n0.229865 0.677894 0.000000 F\n0.563754 0.714296 0.000000 F\n0.598741 0.211172 0.500000 F\n0.903271 0.704282 0.000000 F\n0.931507 0.200680 0.500000 F\n","nsites":18,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.380790652043527,"density_atomic":0.087123262470445,"volume":206.6038333459583,"volume_molar":6.912207588694127,"formula_full":"Fe6 O6 F6","formula_reduced":"FeOF","formula_anonymous":"ABC","energy":-127.99115478,"energy_per_atom":-7.11061971,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.56115478,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":29.0264545,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.007000Z","spacegroup":6},{"id":"mp-754591","created_at":"2022-09-04T14:39:11.184428Z","structure_string":"Fe6 O4 F8\n1.0\n4.753400 0.000000 0.000000\n-0.069983 5.722068 0.000000\n-0.046780 -0.537358 7.910011\nFe O F\n6 4 8\ndirect\n0.451166 0.670358 0.186843 Fe\n0.548834 0.329642 0.813157 Fe\n0.500000 0.000000 0.500000 Fe\n0.997871 0.146766 0.142842 Fe\n0.000000 0.500000 0.500000 Fe\n0.002129 0.853234 0.857158 Fe\n0.209075 0.863582 0.070593 O\n0.293460 0.687852 0.406553 O\n0.706540 0.312148 0.593447 O\n0.790925 0.136418 0.929407 O\n0.184949 0.205656 0.389092 F\n0.202104 0.534634 0.737892 F\n0.292191 0.051210 0.736867 F\n0.308032 0.371906 0.064870 F\n0.707809 0.948790 0.263133 F\n0.691968 0.628094 0.935130 F\n0.815051 0.794344 0.610908 F\n0.797896 0.465366 0.262108 F\n","nsites":18,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.25313769775341,"density_atomic":0.0836638876418405,"volume":215.14658841885037,"volume_molar":7.198016886067237,"formula_full":"Fe6 O4 F8","formula_reduced":"Fe3(OF2)2","formula_anonymous":"A2B3C4","energy":-124.84582096,"energy_per_atom":-6.935878942222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.86582095999998,"band_gap":0.9697,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.9998037,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.261000Z","spacegroup":2},{"id":"mp-754592","created_at":"2022-09-04T14:41:48.194613Z","structure_string":"Li16 Fe4 O4 F16\n1.0\n6.802433 0.000000 0.000000\n0.000000 0.000000 -8.007036\n0.000000 6.802433 -0.000001\nLi Fe O F\n16 4 4 16\ndirect\n0.292048 0.233965 0.090738 Li\n0.792048 0.483965 0.590738 Li\n0.292048 0.733965 0.090738 Li\n0.792048 0.983965 0.590738 Li\n0.409262 0.983965 0.792048 Li\n0.909262 0.233965 0.292048 Li\n0.409262 0.483965 0.792048 Li\n0.909262 0.733965 0.292048 Li\n0.590738 0.483965 0.207952 Li\n0.090738 0.733965 0.707952 Li\n0.590738 0.983965 0.207952 Li\n0.090738 0.233965 0.707952 Li\n0.707952 0.233965 0.909262 Li\n0.207952 0.483965 0.409262 Li\n0.707952 0.733965 0.909262 Li\n0.207952 0.983965 0.409262 Li\n0.000000 0.484178 0.000000 Fe\n0.500000 0.734178 0.500000 Fe\n0.000000 0.984178 0.000000 Fe\n0.500000 0.234178 0.500000 Fe\n0.000000 0.234064 0.000000 O\n0.500000 0.484064 0.500000 O\n0.000000 0.734064 0.000000 O\n0.500000 0.984064 0.500000 O\n0.309157 0.483975 0.102887 F\n0.809157 0.733975 0.602887 F\n0.309157 0.983975 0.102887 F\n0.809157 0.233975 0.602887 F\n0.397113 0.233975 0.809157 F\n0.897113 0.483975 0.309157 F\n0.397113 0.733975 0.809157 F\n0.897113 0.983975 0.309157 F\n0.602887 0.233975 0.190843 F\n0.102887 0.483975 0.690843 F\n0.602887 0.733975 0.190843 F\n0.102887 0.983975 0.690843 F\n0.690843 0.983975 0.897113 F\n0.190843 0.233975 0.397113 F\n0.690843 0.483975 0.897113 F\n0.190843 0.733975 0.397113 F\n","nsites":40,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.148025571064944,"density_atomic":0.1079592016588998,"volume":370.51033525035825,"volume_molar":5.578163479781119,"formula_full":"Li16 Fe4 O4 F16","formula_reduced":"Li4FeOF4","formula_anonymous":"ABC4D4","energy":-225.26178174,"energy_per_atom":-5.6315445435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.09778174,"band_gap":3.8532,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.040000Z","spacegroup":87},{"id":"mp-754593","created_at":"2022-09-04T14:40:29.111433Z","structure_string":"Fe7 O3 F13\n1.0\n-6.166911 0.082189 0.029199\n-3.129552 5.486107 0.068069\n3.026489 -1.861220 -10.027052\nFe O F\n7 3 13\ndirect\n0.763632 0.765844 0.263478 Fe\n0.013730 0.510784 0.994597 Fe\n0.768573 0.739407 0.751332 Fe\n0.727736 0.265784 0.747935 Fe\n0.261887 0.263391 0.259273 Fe\n0.474565 0.002488 0.494762 Fe\n0.320193 0.789842 0.927780 Fe\n0.643431 0.591850 0.870631 O\n0.587619 0.092266 0.365234 O\n0.114240 0.649300 0.885072 O\n0.856987 0.839269 0.131308 F\n0.900465 0.408460 0.148203 F\n0.828020 0.920453 0.622837 F\n0.865352 0.376280 0.654736 F\n0.626018 0.672559 0.373100 F\n0.390059 0.891215 0.126728 F\n0.422109 0.870842 0.615577 F\n0.342398 0.344762 0.124837 F\n0.653464 0.108903 0.849174 F\n0.111202 0.605213 0.361824 F\n0.410436 0.328580 0.618866 F\n0.150343 0.140437 0.370908 F\n0.098095 0.124718 0.875936 F\n","nsites":23,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":3.393974448719194,"density_atomic":0.06853797834315635,"volume":335.58036808210863,"volume_molar":8.78657483862204,"formula_full":"Fe7 O3 F13","formula_reduced":"Fe7O3F13","formula_anonymous":"A3B7C13","energy":-151.54927498,"energy_per_atom":-6.589098912173913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.69027498,"band_gap":1.2861,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":33.0001215,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.210000Z","spacegroup":1},{"id":"mp-754594","created_at":"2022-09-04T14:43:13.547190Z","structure_string":"V1 B1 O4\n1.0\n-2.441002 2.441002 3.671878\n2.441002 -2.441002 3.671878\n2.441002 2.441002 -3.671878\nV B O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.750000 0.500000 B\n0.590550 0.965444 0.826632 O\n0.236082 0.409450 0.374894 O\n0.138812 0.763918 0.173368 O\n0.034556 0.861188 0.625106 O\n","nsites":6,"nelements":3,"elements":["V","B","O"],"chemical_system":"B-O-V","density":2.3860136925328965,"density_atomic":0.06855935852147736,"volume":87.51540459819792,"volume_molar":8.783834752644985,"formula_full":"V1 B1 O4","formula_reduced":"VBO4","formula_anonymous":"ABC4","energy":-50.6460463,"energy_per_atom":-8.441007716666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.1980463,"band_gap":2.6635,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.42e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.037000Z","spacegroup":82},{"id":"mp-754595","created_at":"2022-09-04T14:43:38.858671Z","structure_string":"Li2 Ti3 Fe1 O8\n1.0\n5.071523 -2.992534 0.000000\n5.071523 2.992534 0.000000\n3.305730 0.000000 4.873167\nLi Ti Fe O\n2 3 1 8\ndirect\n0.879568 0.879568 0.879568 Li\n0.120432 0.120432 0.120432 Li\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Fe\n0.740333 0.740333 0.740333 O\n0.743590 0.743590 0.288834 O\n0.743590 0.288834 0.743590 O\n0.288834 0.743590 0.743590 O\n0.711166 0.256410 0.256410 O\n0.256410 0.711166 0.256410 O\n0.256410 0.256410 0.711166 O\n0.259667 0.259667 0.259667 O\n","nsites":14,"nelements":4,"elements":["Li","Ti","Fe","O"],"chemical_system":"Fe-Li-O-Ti","density":3.8317407971570177,"density_atomic":0.09464752299874105,"volume":147.91723603993546,"volume_molar":6.362702973304545,"formula_full":"Li2 Ti3 Fe1 O8","formula_reduced":"Li2Ti3FeO8","formula_anonymous":"AB2C3D8","energy":-116.63983144,"energy_per_atom":-8.331416531428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.88783144,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9995094,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.785000Z","spacegroup":166}]}