{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=33","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=31","results":[{"id":"mp-1193893","created_at":"2022-09-04T14:45:58.114875Z","structure_string":"Ca5 Ni17 Ge8\n1.0\n4.495447 -12.562999 0.000000\n4.495447 12.562999 0.000000\n0.000000 0.000000 4.031353\nCa Ni Ge\n5 17 8\ndirect\n0.817733 0.607528 0.000000 Ca\n0.607528 0.817733 0.000000 Ca\n0.179292 0.790974 0.500000 Ca\n0.790974 0.179292 0.500000 Ca\n0.218515 0.218515 0.500000 Ca\n0.381843 0.050111 0.000000 Ni\n0.050111 0.381843 0.000000 Ni\n0.672762 0.275069 0.000000 Ni\n0.275069 0.672762 0.000000 Ni\n0.450906 0.281868 0.000000 Ni\n0.281868 0.450906 0.000000 Ni\n0.011697 0.884205 0.500000 Ni\n0.884205 0.011697 0.500000 Ni\n0.310576 0.087923 0.500000 Ni\n0.087923 0.310576 0.500000 Ni\n0.516406 0.087426 0.500000 Ni\n0.087426 0.516406 0.500000 Ni\n0.844976 0.442500 0.500000 Ni\n0.442500 0.844976 0.500000 Ni\n0.572338 0.473760 0.500000 Ni\n0.473760 0.572338 0.500000 Ni\n0.926644 0.926644 0.000000 Ni\n0.156349 0.986714 0.000000 Ge\n0.986714 0.156349 0.000000 Ge\n0.481551 0.961025 0.000000 Ge\n0.961025 0.481551 0.000000 Ge\n0.590407 0.314860 0.500000 Ge\n0.314860 0.590407 0.500000 Ge\n0.482214 0.482214 0.000000 Ge\n0.758069 0.758069 0.500000 Ge\n","nsites":30,"nelements":3,"elements":["Ca","Ni","Ge"],"chemical_system":"Ca-Ge-Ni","density":6.488595608953302,"density_atomic":0.06588313002804523,"volume":455.3517719517812,"volume_molar":9.140641553363489,"formula_full":"Ca5 Ni17 Ge8","formula_reduced":"Ca5Ni17Ge8","formula_anonymous":"A5B8C17","energy":-158.29512353,"energy_per_atom":-5.276504117666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.29512353,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010068,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.944000Z","spacegroup":38},{"id":"mp-768308","created_at":"2022-09-04T14:45:58.121038Z","structure_string":"La2 Ag2 O6\n1.0\n4.904244 -2.965414 0.000000\n4.904244 2.965414 0.000000\n3.111169 0.000000 4.813098\nLa Ag O\n2 2 6\ndirect\n0.257933 0.257933 0.257933 La\n0.757933 0.757933 0.757933 La\n0.997781 0.997781 0.997781 Ag\n0.497781 0.497781 0.497781 Ag\n0.849576 0.231035 0.645394 O\n0.731035 0.349576 0.145394 O\n0.349576 0.145394 0.731035 O\n0.645394 0.849576 0.231035 O\n0.231035 0.645394 0.849576 O\n0.145394 0.731035 0.349576 O\n","nsites":10,"nelements":3,"elements":["La","Ag","O"],"chemical_system":"Ag-La-O","density":6.992830903921755,"density_atomic":0.07143119190587585,"volume":139.99486405290418,"volume_molar":8.43068777003653,"formula_full":"La2 Ag2 O6","formula_reduced":"LaAgO3","formula_anonymous":"ABC3","energy":-66.13159625,"energy_per_atom":-6.613159625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.00959625,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.62e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.298000Z","spacegroup":161},{"id":"mp-1225619","created_at":"2022-09-04T14:45:58.151507Z","structure_string":"Dy2 Fe2 Cu2\n1.0\n-2.531731 2.553198 3.780539\n2.531731 -2.553198 3.780539\n2.531731 2.553198 -3.780539\nDy Fe Cu\n2 2 2\ndirect\n0.371013 0.121013 0.250000 Dy\n0.628987 0.878987 0.750000 Dy\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n","nsites":6,"nelements":3,"elements":["Dy","Fe","Cu"],"chemical_system":"Cu-Dy-Fe","density":9.577331822219556,"density_atomic":0.06138121510644014,"volume":97.74977555585207,"volume_molar":9.81104846092914,"formula_full":"Dy2 Fe2 Cu2","formula_reduced":"DyFeCu","formula_anonymous":"ABC","energy":-34.68783355,"energy_per_atom":-5.7813055916666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.68783355,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.4088052,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.842000Z","spacegroup":74},{"id":"mp-766310","created_at":"2022-09-04T14:45:58.153522Z","structure_string":"Ba4 Ca8 I24\n1.0\n7.769482 0.000000 0.000000\n0.000000 8.657735 0.000000\n0.000000 1.384340 23.933260\nBa Ca I\n4 8 24\ndirect\n0.031262 0.145209 0.596324 Ba\n0.468738 0.145209 0.096324 Ba\n0.531262 0.854791 0.903676 Ba\n0.968738 0.854791 0.403676 Ba\n0.487763 0.253380 0.752568 Ca\n0.968335 0.375309 0.911455 Ca\n0.012237 0.253380 0.252568 Ca\n0.531665 0.375309 0.411455 Ca\n0.468335 0.624691 0.588545 Ca\n0.987763 0.746620 0.747432 Ca\n0.031665 0.624691 0.088545 Ca\n0.512237 0.746620 0.247432 Ca\n0.790835 0.036581 0.799529 I\n0.275431 0.176830 0.859025 I\n0.735981 0.134016 0.976642 I\n0.709165 0.036581 0.299529 I\n0.224569 0.176830 0.359025 I\n0.764019 0.134016 0.476642 I\n0.283714 0.384636 0.514701 I\n0.681794 0.343674 0.643965 I\n0.207685 0.476038 0.687963 I\n0.707685 0.523962 0.812037 I\n0.216286 0.384636 0.014701 I\n0.181794 0.656326 0.856035 I\n0.818206 0.343674 0.143965 I\n0.783714 0.615364 0.985299 I\n0.292315 0.476038 0.187963 I\n0.792315 0.523962 0.312037 I\n0.318206 0.656326 0.356035 I\n0.716286 0.615364 0.485299 I\n0.235981 0.865984 0.523358 I\n0.775431 0.823170 0.640975 I\n0.290835 0.963419 0.700471 I\n0.264019 0.865984 0.023358 I\n0.724569 0.823170 0.140975 I\n0.209165 0.963419 0.200471 I\n","nsites":36,"nelements":3,"elements":["Ba","Ca","I"],"chemical_system":"Ba-Ca-I","density":4.038811290881515,"density_atomic":0.022361672799087812,"volume":1609.8974492404043,"volume_molar":26.930636245807417,"formula_full":"Ba4 Ca8 I24","formula_reduced":"BaCa2I6","formula_anonymous":"AB2C6","energy":-128.41249536,"energy_per_atom":-3.56701376,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.31649536,"band_gap":3.6691,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0186072,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.446000Z","spacegroup":14},{"id":"mp-757149","created_at":"2022-09-04T14:45:57.938046Z","structure_string":"Sr2 Hf7 O16\n1.0\n9.126948 -3.203126 0.000000\n9.126948 3.203126 0.000000\n8.002803 0.000000 5.432895\nSr Hf O\n2 7 16\ndirect\n0.333366 0.333366 0.333366 Sr\n0.666634 0.666634 0.666634 Sr\n0.000000 0.000000 0.000000 Hf\n0.886235 0.253678 0.513971 Hf\n0.486029 0.113765 0.746322 Hf\n0.746322 0.486029 0.113765 Hf\n0.253678 0.513971 0.886235 Hf\n0.513971 0.886235 0.253678 Hf\n0.113765 0.746322 0.486029 Hf\n0.235547 0.235547 0.235547 O\n0.964685 0.228024 0.678820 O\n0.847982 0.150460 0.412091 O\n0.587909 0.152018 0.849540 O\n0.321180 0.035315 0.771976 O\n0.771976 0.321180 0.035315 O\n0.849540 0.587909 0.152018 O\n0.570895 0.570895 0.570895 O\n0.429105 0.429105 0.429105 O\n0.150460 0.412091 0.847982 O\n0.228024 0.678820 0.964685 O\n0.678820 0.964685 0.228024 O\n0.412091 0.847982 0.150460 O\n0.152018 0.849540 0.587909 O\n0.035315 0.771976 0.321180 O\n0.764453 0.764453 0.764453 O\n","nsites":25,"nelements":3,"elements":["Sr","Hf","O"],"chemical_system":"Hf-O-Sr","density":8.785533894799228,"density_atomic":0.07870079193945988,"volume":317.6588110985097,"volume_molar":7.651944296357903,"formula_full":"Sr2 Hf7 O16","formula_reduced":"Sr2Hf7O16","formula_anonymous":"A2B7C16","energy":-250.6053346,"energy_per_atom":-10.024213384,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-239.6133346,"band_gap":4.4155,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.77e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.024000Z","spacegroup":148},{"id":"mp-1175320","created_at":"2022-09-04T14:45:57.944267Z","structure_string":"Li7 Mn4 Co1 O12\n1.0\n2.865736 0.000000 0.000000\n0.000000 8.687069 0.000000\n0.000000 4.227036 8.760965\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.828985 0.833299 Li\n0.500000 0.505085 0.505644 Li\n0.500000 0.167297 0.158387 Li\n0.000000 0.471278 0.993484 Li\n0.000000 0.194243 0.668900 Li\n0.000000 0.832337 0.335176 Li\n0.500000 0.337328 0.834195 Li\n0.000000 0.021807 0.993768 Mn\n0.000000 0.332431 0.334007 Mn\n0.500000 0.675834 0.160848 Mn\n0.500000 0.986474 0.507483 Mn\n0.000000 0.646601 0.671488 Co\n0.500000 0.079208 0.845149 O\n0.500000 0.729039 0.523813 O\n0.500000 0.405150 0.179214 O\n0.000000 0.768603 0.008256 O\n0.000000 0.441718 0.667125 O\n0.000000 0.063862 0.356373 O\n0.500000 0.590330 0.816438 O\n0.500000 0.260316 0.488974 O\n0.500000 0.936312 0.145915 O\n0.000000 0.229826 0.999891 O\n0.000000 0.894685 0.659800 O\n0.000000 0.601251 0.312373 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.9534559015066666,"density_atomic":0.11003981356024564,"volume":218.10287770853276,"volume_molar":5.472692623841043,"formula_full":"Li7 Mn4 Co1 O12","formula_reduced":"Li7Mn4CoO12","formula_anonymous":"AB4C7D12","energy":-165.00001248,"energy_per_atom":-6.87500052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.44601248,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9995328,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.881000Z","spacegroup":6},{"id":"mp-7751","created_at":"2022-09-04T14:45:57.948379Z","structure_string":"Pu1 Pt5\n1.0\n2.671354 -4.626922 0.000000\n2.671354 4.626922 0.000000\n0.000000 0.000000 4.468113\nPu Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000000 0.500000 0.500000 Pt\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n","nsites":6,"nelements":2,"elements":["Pu","Pt"],"chemical_system":"Pt-Pu","density":18.332624621832494,"density_atomic":0.05432171655921807,"volume":110.45306334270904,"volume_molar":11.0860649137165,"formula_full":"Pu1 Pt5","formula_reduced":"PuPt5","formula_anonymous":"AB5","energy":-47.73937213,"energy_per_atom":-7.956562021666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.73937213,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.7127441,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.427000Z","spacegroup":191},{"id":"mp-770641","created_at":"2022-09-04T14:45:57.949652Z","structure_string":"Li4 Mn28 O48\n1.0\n-4.793757 4.793757 9.292356\n4.793757 -4.793757 9.292356\n4.793757 4.793757 -9.292356\nLi Mn O\n4 28 48\ndirect\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.375000 0.625000 0.750000 Mn\n0.875000 0.625000 0.250000 Mn\n0.975727 0.975727 0.451454 Mn\n0.571641 0.875000 0.196641 Mn\n0.375000 0.125000 0.750000 Mn\n0.875000 0.125000 0.250000 Mn\n0.071641 0.875000 0.696641 Mn\n0.475727 0.024273 0.000000 Mn\n0.125000 0.321641 0.696641 Mn\n0.375000 0.125000 0.250000 Mn\n0.000000 0.500000 0.500000 Mn\n0.250000 0.250000 0.000000 Mn\n0.875000 0.125000 0.750000 Mn\n0.625000 0.428359 0.303359 Mn\n0.225727 0.725727 0.951454 Mn\n0.024273 0.475727 0.000000 Mn\n0.375000 0.625000 0.250000 Mn\n0.875000 0.625000 0.750000 Mn\n0.678359 0.375000 0.803359 Mn\n0.178359 0.375000 0.303359 Mn\n0.725727 0.774273 0.500000 Mn\n0.524273 0.524273 0.548546 Mn\n0.125000 0.821641 0.196641 Mn\n0.500000 0.000000 0.500000 Mn\n0.750000 0.750000 0.000000 Mn\n0.625000 0.928359 0.803359 Mn\n0.274273 0.225727 0.500000 Mn\n0.774273 0.274273 0.048546 Mn\n0.057021 0.798857 0.456588 O\n0.498629 0.828284 0.954992 O\n0.769244 0.823271 0.231516 O\n0.171716 0.126708 0.670345 O\n0.078284 0.248629 0.454992 O\n0.269244 0.037728 0.945973 O\n0.998629 0.043637 0.670345 O\n0.899567 0.157731 0.456588 O\n0.350433 0.307021 0.758164 O\n0.462272 0.230756 0.054027 O\n0.787728 0.341755 0.268484 O\n0.557021 0.100433 0.258164 O\n0.407731 0.649567 0.956588 O\n0.842269 0.298857 0.741836 O\n0.176729 0.408245 0.945973 O\n0.073271 0.519244 0.731516 O\n0.548857 0.592269 0.241836 O\n0.701143 0.442979 0.543412 O\n0.876708 0.706363 0.454992 O\n0.373292 0.328284 0.329655 O\n0.091755 0.323271 0.054027 O\n0.158245 0.712272 0.731516 O\n0.456363 0.501371 0.329655 O\n0.793637 0.623292 0.545008 O\n0.293637 0.748629 0.170345 O\n0.956363 0.626708 0.954992 O\n0.658245 0.926729 0.445973 O\n0.591755 0.537728 0.768484 O\n0.376708 0.921716 0.170345 O\n0.873292 0.543637 0.045008 O\n0.201143 0.657731 0.258164 O\n0.048857 0.807021 0.956588 O\n0.573271 0.841755 0.554027 O\n0.676729 0.730756 0.768484 O\n0.342269 0.600433 0.543412 O\n0.907731 0.951143 0.758164 O\n0.192979 0.149567 0.241836 O\n0.287728 0.019244 0.445973 O\n0.962272 0.908245 0.231516 O\n0.399567 0.942979 0.741836 O\n0.850433 0.092269 0.043412 O\n0.751371 0.206363 0.829655 O\n0.480756 0.212272 0.554027 O\n0.671716 0.001371 0.045008 O\n0.578284 0.123292 0.829655 O\n0.980756 0.426729 0.268484 O\n0.251371 0.421716 0.545008 O\n0.692979 0.451143 0.043412 O\n","nsites":80,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.53745334727458,"density_atomic":0.09365956254751957,"volume":854.1573099854146,"volume_molar":6.429819439893901,"formula_full":"Li4 Mn28 O48","formula_reduced":"LiMn7O12","formula_anonymous":"AB7C12","energy":-657.81461995,"energy_per_atom":-8.222682749375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-578.13461995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":104.0042049,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.538000Z","spacegroup":142},{"id":"mp-979955","created_at":"2022-09-04T14:45:57.954378Z","structure_string":"Yb3 Mn1\n1.0\n0.000000 3.913083 3.913083\n3.913083 0.000000 3.913083\n3.913083 3.913083 0.000000\nYb Mn\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Mn\n","nsites":4,"nelements":2,"elements":["Yb","Mn"],"chemical_system":"Mn-Yb","density":7.954588721763829,"density_atomic":0.03337896117241923,"volume":119.83596431710308,"volume_molar":18.0417261306983,"formula_full":"Yb3 Mn1","formula_reduced":"Yb3Mn","formula_anonymous":"AB3","energy":-12.52062685,"energy_per_atom":-3.1301567125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.52062685,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.360388,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.533000Z","spacegroup":225},{"id":"mp-1219059","created_at":"2022-09-04T14:45:57.969826Z","structure_string":"Sm1 V2 Fe10 N1\n1.0\n-2.385004 4.230513 4.268104\n2.385004 -4.230513 4.268104\n2.385004 4.230513 -4.268104\nSm V Fe N\n1 2 10 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.639827 0.000000 0.639827 V\n0.360173 0.000000 0.360173 V\n0.772003 0.272003 0.500000 Fe\n0.227997 0.727997 0.500000 Fe\n0.222983 0.500000 0.722983 Fe\n0.777017 0.500000 0.277017 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.371274 0.371274 0.000000 Fe\n0.628726 0.628726 0.000000 Fe\n0.000000 0.500000 0.500000 N\n","nsites":14,"nelements":4,"elements":["Sm","V","Fe","N"],"chemical_system":"Fe-N-Sm-V","density":7.950012358572639,"density_atomic":0.0812738635373004,"volume":172.2570995234494,"volume_molar":7.409689287425294,"formula_full":"Sm1 V2 Fe10 N1","formula_reduced":"SmV2Fe10N","formula_anonymous":"ABC2D10","energy":-117.93374746,"energy_per_atom":-8.423839104285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.57274746,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.2745969,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.736000Z","spacegroup":71},{"id":"mp-3520","created_at":"2022-09-04T14:45:57.971837Z","structure_string":"Y8 Si4 O20\n1.0\n3.417693 7.282169 0.000000\n-3.417693 7.282169 0.000000\n0.000000 5.614958 8.939901\nY Si O\n8 4 20\ndirect\n0.781253 0.292665 0.032402 Y\n0.707335 0.218747 0.467598 Y\n0.218747 0.707335 0.967598 Y\n0.292665 0.781253 0.532402 Y\n0.239312 0.475407 0.337488 Y\n0.524593 0.760688 0.162512 Y\n0.760688 0.524593 0.662512 Y\n0.475407 0.239312 0.837488 Y\n0.728118 0.908332 0.305678 Si\n0.091668 0.271882 0.194322 Si\n0.271882 0.091668 0.694322 Si\n0.908332 0.728118 0.805678 Si\n0.422872 0.610458 0.104224 O\n0.389542 0.577128 0.395776 O\n0.577128 0.389542 0.895776 O\n0.610458 0.422872 0.604224 O\n0.871811 0.725827 0.431958 O\n0.274173 0.128189 0.068042 O\n0.128189 0.274173 0.568042 O\n0.725827 0.871811 0.931958 O\n0.554943 0.850995 0.323694 O\n0.149005 0.445057 0.176306 O\n0.445057 0.149005 0.676306 O\n0.850995 0.554943 0.823694 O\n0.162948 0.595854 0.824225 O\n0.404146 0.837052 0.675775 O\n0.837052 0.404146 0.175775 O\n0.595854 0.162948 0.324225 O\n0.918441 0.900155 0.637565 O\n0.099845 0.081559 0.862435 O\n0.081559 0.099845 0.362435 O\n0.900155 0.918441 0.137565 O\n","nsites":32,"nelements":3,"elements":["Y","Si","O"],"chemical_system":"O-Si-Y","density":4.267346675771198,"density_atomic":0.07191069245082442,"volume":444.99641026100477,"volume_molar":8.374471938395246,"formula_full":"Y8 Si4 O20","formula_reduced":"Y2SiO5","formula_anonymous":"AB2C5","energy":-293.73070731,"energy_per_atom":-9.1790846034375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-279.99070731,"band_gap":4.7661,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004086,"is_theoretical":false,"updated_at":"2021-11-28T01:37:08.221000Z","spacegroup":15},{"id":"mp-755607","created_at":"2022-09-04T14:45:56.850134Z","structure_string":"Li10 Co4 Ni6 O20\n1.0\n-1.076034 4.942106 -0.172058\n-6.610393 -2.797555 6.882918\n2.382472 2.421285 6.903501\nLi Co Ni O\n10 4 6 20\ndirect\n0.999990 0.999996 0.500003 Li\n0.500002 0.500006 0.999994 Li\n0.595118 0.097653 0.306646 Li\n0.095146 0.597659 0.806646 Li\n0.404901 0.902342 0.693356 Li\n0.904862 0.402345 0.193351 Li\n0.702756 0.199668 0.587995 Li\n0.202788 0.699676 0.087975 Li\n0.297249 0.800334 0.412013 Li\n0.797227 0.300326 0.912019 Li\n0.796279 0.796699 0.896955 Co\n0.203732 0.203298 0.103062 Co\n0.296264 0.296694 0.396939 Co\n0.703747 0.703298 0.603032 Co\n0.499980 0.999995 0.999996 Ni\n0.599224 0.601180 0.295851 Ni\n0.400794 0.398827 0.704164 Ni\n0.999955 0.499997 0.499998 Ni\n0.099199 0.101181 0.795846 Ni\n0.900757 0.898822 0.204149 Ni\n0.622164 0.395832 0.445643 O\n0.122170 0.895828 0.945641 O\n0.377858 0.604175 0.554354 O\n0.877827 0.104168 0.054360 O\n0.062876 0.303354 0.629710 O\n0.562845 0.803346 0.129716 O\n0.937124 0.696643 0.370289 O\n0.437152 0.196647 0.870284 O\n0.992040 0.207309 0.337995 O\n0.492010 0.707291 0.838008 O\n0.007961 0.792693 0.662004 O\n0.507985 0.292713 0.161995 O\n0.259729 0.011797 0.227780 O\n0.759755 0.511798 0.727802 O\n0.740254 0.988193 0.772226 O\n0.240258 0.488208 0.272203 O\n0.345126 0.117148 0.541183 O\n0.845146 0.617145 0.041199 O\n0.654884 0.882858 0.458828 O\n0.154866 0.382858 0.958792 O\n","nsites":40,"nelements":4,"elements":["Li","Co","Ni","O"],"chemical_system":"Co-Li-Ni-O","density":4.678148170144151,"density_atomic":0.11530838449388367,"volume":346.8958495565579,"volume_molar":5.222639087723438,"formula_full":"Li10 Co4 Ni6 O20","formula_reduced":"Li5Co2Ni3O10","formula_anonymous":"A2B3C5D10","energy":-245.19930374,"energy_per_atom":-6.1299825935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.66130374,"band_gap":0.2273,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.628000Z","spacegroup":2}]}