{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10124","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10122","results":[{"id":"mp-1830474","created_at":"2022-09-04T14:41:35.179040Z","structure_string":"Ta2 F10\n1.0\n5.217166 -0.066387 -1.900309\n-2.253214 5.037075 -0.704369\n0.028277 0.063028 7.919363\nTa F\n2 10\ndirect\n0.995780 0.999627 0.999567 Ta\n0.499814 0.000671 0.498762 Ta\n0.319740 0.069810 0.247893 F\n0.673993 0.930627 0.749701 F\n0.592002 0.750538 0.381853 F\n0.867425 0.214564 0.116770 F\n0.771808 0.702768 0.052900 F\n0.146204 0.728156 0.447225 F\n0.221915 0.298116 0.948571 F\n0.853453 0.271011 0.549293 F\n0.117171 0.782945 0.878015 F\n0.408942 0.252815 0.615329 F\n","nsites":12,"nelements":2,"elements":["Ta","F"],"chemical_system":"F-Ta","density":4.4121377742664825,"density_atomic":0.05777457002084556,"volume":207.70383917474933,"volume_molar":10.423514632522856,"formula_full":"Ta2 F10","formula_reduced":"TaF5","formula_anonymous":"AB5","energy":-84.79196502,"energy_per_atom":-7.065997085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.17196502,"band_gap":5.0262,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005215,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.948000Z","spacegroup":2},{"id":"mp-1235518","created_at":"2022-09-04T14:41:35.190174Z","structure_string":"K2 Ba1 Li1 Co1 N6 O12\n1.0\n6.779170 0.171409 -3.755518\n-2.239152 6.415983 -4.087898\n0.115832 -0.238543 7.840422\nK Ba Li Co N O\n2 1 1 1 6 12\ndirect\n0.194861 0.715764 0.491739 K\n0.770537 0.311930 0.490027 K\n0.498013 0.487821 0.980805 Ba\n0.574133 0.923011 0.482778 Li\n0.005604 0.997416 0.998052 Co\n0.197721 0.808644 0.998687 N\n0.813249 0.186883 0.995675 N\n0.188484 0.196281 0.378525 N\n0.823617 0.802003 0.623636 N\n0.201703 0.195744 0.002214 N\n0.811401 0.808778 0.004510 N\n0.659214 0.153046 0.801831 O\n0.843890 0.351459 0.191262 O\n0.169021 0.646120 0.803239 O\n0.348504 0.842005 0.192468 O\n0.346333 0.143913 0.970193 O\n0.636431 0.687691 0.513374 O\n0.833613 0.635344 0.970720 O\n0.671314 0.863697 0.042368 O\n0.838888 0.866441 0.508831 O\n0.358273 0.338087 0.498191 O\n0.148966 0.167539 0.502405 O\n0.182303 0.370387 0.041803 O\n","nsites":23,"nelements":6,"elements":["K","Ba","Li","Co","N","O"],"chemical_system":"Ba-Co-K-Li-N-O","density":2.7375790662212336,"density_atomic":0.06802279180405704,"volume":338.12196456523895,"volume_molar":8.853122020259134,"formula_full":"K2 Ba1 Li1 Co1 N6 O12","formula_reduced":"K2BaLiCo(NO2)6","formula_anonymous":"ABCD2E6F12","energy":-150.23673967,"energy_per_atom":-6.532032159565217,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.35473967,"band_gap":0.9163,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0036641,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.918000Z","spacegroup":1},{"id":"mp-1209170","created_at":"2022-09-04T14:41:35.200008Z","structure_string":"Rb4 Sm8 Cl28\n1.0\n7.134943 0.000000 0.000000\n0.000000 12.970649 0.000000\n0.000000 0.000000 13.445121\nRb Sm Cl\n4 8 28\ndirect\n0.250000 0.804671 0.041367 Rb\n0.750000 0.195329 0.958633 Rb\n0.750000 0.304671 0.458633 Rb\n0.250000 0.695329 0.541367 Rb\n0.250000 0.460275 0.236150 Sm\n0.750000 0.539725 0.763850 Sm\n0.750000 0.960275 0.263850 Sm\n0.250000 0.039725 0.736150 Sm\n0.250000 0.156480 0.249117 Sm\n0.750000 0.843520 0.750883 Sm\n0.750000 0.656480 0.250883 Sm\n0.250000 0.343520 0.749117 Sm\n0.009438 0.306265 0.174304 Cl\n0.990562 0.693735 0.825696 Cl\n0.990562 0.806265 0.325696 Cl\n0.509438 0.693735 0.825696 Cl\n0.009438 0.193735 0.674304 Cl\n0.490562 0.306265 0.174304 Cl\n0.490562 0.193735 0.674304 Cl\n0.509438 0.806265 0.325696 Cl\n0.010739 0.578439 0.120134 Cl\n0.989261 0.421561 0.879866 Cl\n0.989261 0.078439 0.379866 Cl\n0.510739 0.421561 0.879866 Cl\n0.010739 0.921561 0.620134 Cl\n0.489261 0.578439 0.120134 Cl\n0.489261 0.921561 0.620134 Cl\n0.510739 0.078439 0.379866 Cl\n0.009849 0.039339 0.131154 Cl\n0.990151 0.960661 0.868846 Cl\n0.990151 0.539339 0.368846 Cl\n0.509849 0.960661 0.868846 Cl\n0.009849 0.460661 0.631154 Cl\n0.490151 0.039339 0.131154 Cl\n0.490151 0.460661 0.631154 Cl\n0.509849 0.539339 0.368846 Cl\n0.250000 0.312243 0.392395 Cl\n0.750000 0.687757 0.607605 Cl\n0.750000 0.812243 0.107605 Cl\n0.250000 0.187757 0.892395 Cl\n","nsites":40,"nelements":3,"elements":["Rb","Sm","Cl"],"chemical_system":"Cl-Rb-Sm","density":3.3863132326603664,"density_atomic":0.032147193278596733,"volume":1244.2765890430499,"volume_molar":18.733021908974802,"formula_full":"Rb4 Sm8 Cl28","formula_reduced":"RbSm2Cl7","formula_anonymous":"AB2C7","energy":-200.46358961000004,"energy_per_atom":-5.011589740250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.27158961000004,"band_gap":4.4664,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.413000Z","spacegroup":62},{"id":"mp-6067","created_at":"2022-09-04T14:41:35.225688Z","structure_string":"Tl8 Cd8 S12 O48\n1.0\n10.595703 0.000000 0.000000\n0.000000 10.595703 0.000000\n0.000000 0.000000 10.595703\nTl Cd S O\n8 8 12 48\ndirect\n0.053034 0.053034 0.053034 Tl\n0.946966 0.553034 0.446966 Tl\n0.553034 0.446966 0.946966 Tl\n0.446966 0.946966 0.553034 Tl\n0.815987 0.815987 0.815987 Tl\n0.315987 0.684013 0.184013 Tl\n0.684013 0.184013 0.315987 Tl\n0.184013 0.315987 0.684013 Tl\n0.413451 0.086549 0.913451 Cd\n0.086549 0.913451 0.413451 Cd\n0.913451 0.413451 0.086549 Cd\n0.586549 0.586549 0.586549 Cd\n0.669843 0.830157 0.169843 Cd\n0.830157 0.169843 0.669843 Cd\n0.169843 0.669843 0.830157 Cd\n0.330157 0.330157 0.330157 Cd\n0.225991 0.374996 0.013840 S\n0.725991 0.125004 0.986160 S\n0.774009 0.874996 0.486160 S\n0.125004 0.986160 0.725991 S\n0.486160 0.774009 0.874996 S\n0.986160 0.725991 0.125004 S\n0.374996 0.013840 0.225991 S\n0.013840 0.225991 0.374996 S\n0.874996 0.486160 0.774009 S\n0.625004 0.513840 0.274009 S\n0.513840 0.274009 0.625004 S\n0.274009 0.625004 0.513840 S\n0.255346 0.416007 0.145474 O\n0.755346 0.083993 0.854526 O\n0.744654 0.916007 0.354526 O\n0.083993 0.854526 0.755346 O\n0.354526 0.744654 0.916007 O\n0.854526 0.755346 0.083993 O\n0.416007 0.145474 0.255346 O\n0.145474 0.255346 0.416007 O\n0.916007 0.354526 0.744654 O\n0.583993 0.645474 0.244654 O\n0.645474 0.244654 0.583993 O\n0.244654 0.583993 0.645474 O\n0.238488 0.485916 0.928675 O\n0.738488 0.014084 0.071325 O\n0.761512 0.985916 0.571325 O\n0.014084 0.071325 0.738488 O\n0.571325 0.761512 0.985916 O\n0.071325 0.738488 0.014084 O\n0.492683 0.905597 0.822652 O\n0.485916 0.928675 0.238488 O\n0.985916 0.571325 0.761512 O\n0.514084 0.428675 0.261512 O\n0.428675 0.261512 0.514084 O\n0.261512 0.514084 0.428675 O\n0.094403 0.322652 0.007317 O\n0.594403 0.177348 0.992683 O\n0.905597 0.822652 0.492683 O\n0.177348 0.992683 0.594403 O\n0.183965 0.723203 0.470984 O\n0.470984 0.183965 0.723203 O\n0.723203 0.470984 0.183965 O\n0.776797 0.529016 0.683965 O\n0.970984 0.316035 0.276797 O\n0.276797 0.970984 0.316035 O\n0.029016 0.816035 0.223203 O\n0.529016 0.683965 0.776797 O\n0.223203 0.029016 0.816035 O\n0.683965 0.776797 0.529016 O\n0.816035 0.223203 0.029016 O\n0.316035 0.276797 0.970984 O\n0.405597 0.677348 0.507317 O\n0.507317 0.405597 0.677348 O\n0.677348 0.507317 0.405597 O\n0.822652 0.492683 0.905597 O\n0.007317 0.094403 0.322652 O\n0.322652 0.007317 0.094403 O\n0.992683 0.594403 0.177348 O\n0.928675 0.238488 0.485916 O\n","nsites":76,"nelements":4,"elements":["Tl","Cd","S","O"],"chemical_system":"Cd-O-S-Tl","density":5.146895425228179,"density_atomic":0.0638887311532682,"volume":1189.5681543225055,"volume_molar":9.425982722294119,"formula_full":"Tl8 Cd8 S12 O48","formula_reduced":"Tl2Cd2(SO4)3","formula_anonymous":"A2B2C3D12","energy":-448.80491639,"energy_per_atom":-5.905327847236842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-415.82891639,"band_gap":3.9583,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.344000Z","spacegroup":198},{"id":"mp-758214","created_at":"2022-09-04T14:41:35.190508Z","structure_string":"V4 F20\n1.0\n3.929721 -4.502267 0.000000\n3.929721 4.502267 0.000000\n0.000000 0.000000 11.224281\nV F\n4 20\ndirect\n0.158524 0.158524 0.408097 V\n0.341476 0.341476 0.908097 V\n0.658524 0.658524 0.091903 V\n0.841476 0.841476 0.591903 V\n0.868051 0.131949 0.500000 F\n0.999188 0.999188 0.296321 F\n0.415043 0.107813 0.348149 F\n0.392187 0.084957 0.848149 F\n0.213776 0.213776 0.038482 F\n0.631949 0.368051 0.000000 F\n0.286224 0.286224 0.538482 F\n0.107813 0.415043 0.348149 F\n0.084957 0.392187 0.848149 F\n0.500812 0.500812 0.796321 F\n0.499188 0.499188 0.203679 F\n0.915043 0.607813 0.151851 F\n0.892187 0.584957 0.651851 F\n0.713776 0.713776 0.461518 F\n0.368051 0.631949 0.000000 F\n0.786224 0.786224 0.961518 F\n0.607813 0.915043 0.151851 F\n0.584957 0.892187 0.651851 F\n0.000812 0.000812 0.703679 F\n0.131949 0.868051 0.500000 F\n","nsites":24,"nelements":2,"elements":["V","F"],"chemical_system":"F-V","density":2.4405215353005802,"density_atomic":0.06042682156086926,"volume":397.1746217997628,"volume_molar":9.966006161574734,"formula_full":"V4 F20","formula_reduced":"VF5","formula_anonymous":"AB5","energy":-141.6873731,"energy_per_atom":-5.903640545833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.64737309999998,"band_gap":3.1961,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.093000Z","spacegroup":64},{"id":"mp-1186231","created_at":"2022-09-04T14:41:35.201788Z","structure_string":"Nb2 Ir6\n1.0\n2.796634 -4.843912 0.000000\n2.796634 4.843912 0.000000\n0.000000 0.000000 4.491002\nNb Ir\n2 6\ndirect\n0.333333 0.666667 0.750000 Nb\n0.666667 0.333333 0.250000 Nb\n0.163811 0.327621 0.250000 Ir\n0.672379 0.836189 0.250000 Ir\n0.163811 0.836189 0.250000 Ir\n0.836189 0.672379 0.750000 Ir\n0.327621 0.163811 0.750000 Ir\n0.836189 0.163811 0.750000 Ir\n","nsites":8,"nelements":2,"elements":["Nb","Ir"],"chemical_system":"Ir-Nb","density":18.275184593206422,"density_atomic":0.06574835099169861,"volume":121.67605543460824,"volume_molar":9.159379161859674,"formula_full":"Nb2 Ir6","formula_reduced":"NbIr3","formula_anonymous":"AB3","energy":-78.13001429,"energy_per_atom":-9.76625178625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.13001429,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003734,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.865000Z","spacegroup":194},{"id":"mp-641183","created_at":"2022-09-04T14:41:35.350337Z","structure_string":"Ce16 Te12 N8\n1.0\n7.296035 0.000000 0.000000\n0.000000 11.447615 0.000000\n0.000000 0.000000 11.553836\nCe Te N\n16 12 8\ndirect\n0.150228 0.390546 0.551001 Ce\n0.349772 0.890546 0.051001 Ce\n0.219854 0.025405 0.750000 Ce\n0.150228 0.390546 0.948999 Ce\n0.280146 0.525405 0.250000 Ce\n0.849772 0.609454 0.448999 Ce\n0.913208 0.339547 0.250000 Ce\n0.086792 0.660453 0.750000 Ce\n0.586792 0.839547 0.750000 Ce\n0.413208 0.160453 0.250000 Ce\n0.719854 0.474595 0.750000 Ce\n0.849772 0.609454 0.051001 Ce\n0.780146 0.974595 0.250000 Ce\n0.650228 0.109454 0.948999 Ce\n0.349772 0.890546 0.448999 Ce\n0.650228 0.109454 0.551001 Ce\n0.920211 0.231458 0.750000 Te\n0.579789 0.731458 0.250000 Te\n0.432762 0.635784 0.923560 Te\n0.432762 0.635784 0.576440 Te\n0.567238 0.364216 0.423560 Te\n0.932762 0.864216 0.576440 Te\n0.067238 0.135784 0.423560 Te\n0.067238 0.135784 0.076440 Te\n0.932762 0.864216 0.923560 Te\n0.567238 0.364216 0.076440 Te\n0.420211 0.268542 0.750000 Te\n0.079789 0.768542 0.250000 Te\n0.554502 0.031964 0.379874 N\n0.445498 0.968036 0.879874 N\n0.945498 0.531964 0.879874 N\n0.054502 0.468036 0.379874 N\n0.445498 0.968036 0.620126 N\n0.945498 0.531964 0.620126 N\n0.054502 0.468036 0.120126 N\n0.554502 0.031964 0.120126 N\n","nsites":36,"nelements":3,"elements":["Ce","Te","N"],"chemical_system":"Ce-N-Te","density":6.685351554516764,"density_atomic":0.03730562998250348,"volume":965.001797768438,"volume_molar":16.14271294392941,"formula_full":"Ce16 Te12 N8","formula_reduced":"Ce4Te3N2","formula_anonymous":"A2B3C4","energy":-261.48596889000004,"energy_per_atom":-7.263499135833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.53396889000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.5535176,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.021000Z","spacegroup":62},{"id":"mp-1041677","created_at":"2022-09-04T14:41:35.351671Z","structure_string":"Mg2 Sn2 P4 O14\n1.0\n6.333439 0.000000 0.000000\n2.506678 6.274702 0.000000\n0.557372 0.184345 6.964782\nMg Sn P O\n2 2 4 14\ndirect\n0.355345 0.677777 0.659994 Mg\n0.644655 0.322223 0.340006 Mg\n0.257138 0.127234 0.144066 Sn\n0.742862 0.872766 0.855934 Sn\n0.191952 0.662362 0.136505 P\n0.808048 0.337638 0.863495 P\n0.224958 0.230132 0.601548 P\n0.775042 0.769868 0.398452 P\n0.150468 0.722817 0.921878 O\n0.849532 0.277183 0.078122 O\n0.225956 0.830523 0.253432 O\n0.774044 0.169477 0.746568 O\n0.374239 0.442948 0.168253 O\n0.625761 0.557052 0.831747 O\n0.630011 0.629565 0.433478 O\n0.369989 0.370435 0.566522 O\n0.083814 0.234385 0.429206 O\n0.916186 0.765615 0.570794 O\n0.048035 0.352416 0.776715 O\n0.647477 0.000797 0.328200 O\n0.352523 0.999203 0.671800 O\n0.951965 0.647584 0.223285 O\n","nsites":22,"nelements":4,"elements":["Mg","Sn","P","O"],"chemical_system":"Mg-O-P-Sn","density":3.803128770149249,"density_atomic":0.07948450178319082,"volume":276.78351762220524,"volume_molar":7.576496832585729,"formula_full":"Mg2 Sn2 P4 O14","formula_reduced":"MgSnP2O7","formula_anonymous":"ABC2D7","energy":-159.75606229,"energy_per_atom":-7.261639195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.13806229,"band_gap":3.3807,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.556000Z","spacegroup":2},{"id":"mp-1228000","created_at":"2022-09-04T14:41:35.358181Z","structure_string":"Ca2 Mn7 Si10 H12 O35\n1.0\n8.996605 0.000000 0.000000\n0.847589 8.994053 0.000000\n1.094700 0.505806 9.340860\nCa Mn Si H O\n2 7 10 12 35\ndirect\n0.711050 0.898339 0.259906 Ca\n0.288942 0.102099 0.738930 Ca\n0.032439 0.660333 0.162766 Mn\n0.970609 0.335940 0.852824 Mn\n0.351752 0.438939 0.109211 Mn\n0.645832 0.560084 0.894062 Mn\n0.999701 0.995838 0.999276 Mn\n0.673095 0.223468 0.078033 Mn\n0.324591 0.774407 0.923300 Mn\n0.679890 0.919577 0.884403 Si\n0.319558 0.079556 0.115221 Si\n0.345154 0.444480 0.756493 Si\n0.654048 0.556270 0.242499 Si\n0.642243 0.228379 0.726472 Si\n0.358992 0.772744 0.273494 Si\n0.965821 0.716641 0.809457 Si\n0.034715 0.280569 0.186000 Si\n0.250038 0.735145 0.602844 Si\n0.752414 0.268109 0.397006 Si\n0.031492 0.939269 0.274294 H\n0.967523 0.065091 0.724952 H\n0.320787 0.220983 0.430763 H\n0.675069 0.781996 0.569440 H\n0.314751 0.047432 0.427411 H\n0.684969 0.954418 0.571797 H\n0.396142 0.447380 0.410972 H\n0.601415 0.550181 0.585494 H\n0.225320 0.464597 0.384177 H\n0.765884 0.542685 0.625792 H\n0.980648 0.476941 0.409771 H\n0.022517 0.617860 0.492859 H\n0.432520 0.209066 0.076139 O\n0.566611 0.790266 0.923374 O\n0.317930 0.127868 0.491482 O\n0.684960 0.873495 0.507676 O\n0.600771 0.467384 0.113180 O\n0.398323 0.530171 0.887967 O\n0.932427 0.233065 0.065943 O\n0.064207 0.758136 0.934915 O\n0.661130 0.437121 0.385549 O\n0.340156 0.566103 0.615685 O\n0.113706 0.431935 0.136443 O\n0.885855 0.561905 0.840581 O\n0.690209 0.152810 0.301241 O\n0.311753 0.848426 0.701116 O\n0.930723 0.297459 0.344237 O\n0.069291 0.712443 0.650237 O\n0.165840 0.144093 0.216049 O\n0.833292 0.853510 0.785018 O\n0.259715 0.786413 0.430864 O\n0.745226 0.220266 0.569955 O\n0.522831 0.687337 0.302740 O\n0.477577 0.312815 0.697839 O\n0.972605 0.892443 0.212121 O\n0.026644 0.108724 0.789099 O\n0.799064 0.646170 0.201142 O\n0.198535 0.355192 0.791239 O\n0.281793 0.691588 0.156091 O\n0.719864 0.309606 0.843651 O\n0.399057 0.944868 0.220838 O\n0.603526 0.055330 0.776986 O\n0.735517 0.993783 0.020494 O\n0.262897 0.005830 0.979203 O\n0.324091 0.408260 0.355478 O\n0.666433 0.595034 0.644802 O\n0.044016 0.561435 0.405608 O\n","nsites":66,"nelements":5,"elements":["Ca","Mn","Si","H","O"],"chemical_system":"Ca-H-Mn-O-Si","density":2.8948677703389984,"density_atomic":0.08732185986077473,"volume":755.8244877654904,"volume_molar":6.8964870533010325,"formula_full":"Ca2 Mn7 Si10 H12 O35","formula_reduced":"Ca2Mn7Si10H12O35","formula_anonymous":"A2B7C10D12E35","energy":-500.947764,"energy_per_atom":-7.590117636363637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-465.226764,"band_gap":2.7286,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":35.0070227,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.798000Z","spacegroup":1},{"id":"mp-758566","created_at":"2022-09-04T14:41:35.360550Z","structure_string":"Li4 Fe4 P16 O48\n1.0\n8.856715 0.000000 0.000000\n0.000000 7.441017 0.000000\n0.000000 6.182300 14.169118\nLi Fe P O\n4 4 16 48\ndirect\n0.573092 0.863867 0.075678 Li\n0.073092 0.136133 0.424322 Li\n0.926908 0.863867 0.575678 Li\n0.426908 0.136133 0.924322 Li\n0.653021 0.320423 0.646901 Fe\n0.846979 0.320423 0.146901 Fe\n0.153021 0.679577 0.853099 Fe\n0.346979 0.679577 0.353099 Fe\n0.277674 0.366765 0.569842 P\n0.048170 0.646357 0.216803 P\n0.229700 0.775061 0.041597 P\n0.039142 0.097839 0.692302 P\n0.729700 0.224939 0.458403 P\n0.548170 0.353643 0.283197 P\n0.539142 0.902161 0.807698 P\n0.222326 0.366765 0.069842 P\n0.777674 0.633235 0.930158 P\n0.460858 0.097839 0.192302 P\n0.451830 0.646357 0.716803 P\n0.270300 0.775061 0.541597 P\n0.960858 0.902161 0.307698 P\n0.770300 0.224939 0.958403 P\n0.951830 0.353643 0.783197 P\n0.722326 0.633235 0.430158 P\n0.365927 0.902559 0.031680 O\n0.122407 0.800079 0.119813 O\n0.066393 0.206008 0.762746 O\n0.292457 0.433890 0.463859 O\n0.162422 0.568965 0.295349 O\n0.784431 0.450134 0.407924 O\n0.408688 0.269035 0.630550 O\n0.455335 0.501375 0.301358 O\n0.128968 0.234371 0.597011 O\n0.622402 0.094701 0.766512 O\n0.955335 0.498625 0.198642 O\n0.878629 0.096292 0.663132 O\n0.639577 0.197485 0.545206 O\n0.284431 0.549866 0.092076 O\n0.662422 0.431035 0.204651 O\n0.792457 0.566110 0.036141 O\n0.139577 0.802515 0.954794 O\n0.378629 0.903708 0.836868 O\n0.622407 0.199921 0.380187 O\n0.122402 0.905299 0.733488 O\n0.865927 0.097441 0.468320 O\n0.628968 0.765629 0.902989 O\n0.433607 0.206008 0.262746 O\n0.908688 0.730965 0.869450 O\n0.091312 0.269035 0.130550 O\n0.566393 0.793992 0.737254 O\n0.371032 0.234371 0.097011 O\n0.134073 0.902559 0.531680 O\n0.877598 0.094701 0.266512 O\n0.377593 0.800079 0.619813 O\n0.621371 0.096292 0.163132 O\n0.860423 0.197485 0.045206 O\n0.207543 0.433890 0.963859 O\n0.337578 0.568965 0.795349 O\n0.715569 0.450134 0.907924 O\n0.360423 0.802515 0.454794 O\n0.121371 0.903708 0.336868 O\n0.044665 0.501375 0.801358 O\n0.377598 0.905299 0.233488 O\n0.871032 0.765629 0.402989 O\n0.544665 0.498625 0.698642 O\n0.591312 0.730965 0.369450 O\n0.215569 0.549866 0.592076 O\n0.837578 0.431035 0.704651 O\n0.707543 0.566110 0.536141 O\n0.933607 0.793992 0.237254 O\n0.877593 0.199921 0.880187 O\n0.634073 0.097441 0.968320 O\n","nsites":72,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.6935597768640567,"density_atomic":0.07710538550113791,"volume":933.7869142608389,"volume_molar":7.810272552117809,"formula_full":"Li4 Fe4 P16 O48","formula_reduced":"LiFe(PO3)4","formula_anonymous":"ABC4D12","energy":-542.9551989500001,"energy_per_atom":-7.541044429861112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-500.95519895,"band_gap":2.1598,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9996745,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.634000Z","spacegroup":14},{"id":"mp-1218920","created_at":"2022-09-04T14:41:45.220358Z","structure_string":"Sn1 Sb1\n1.0\n3.074971 0.000000 0.000000\n0.000000 3.074971 0.000000\n0.000000 0.000000 6.259245\nSn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sb\n","nsites":2,"nelements":2,"elements":["Sn","Sb"],"chemical_system":"Sb-Sn","density":6.746926843444053,"density_atomic":0.033792941458546805,"volume":59.18395717204328,"volume_molar":17.820706041192807,"formula_full":"Sn1 Sb1","formula_reduced":"SnSb","formula_anonymous":"AB","energy":-8.24461333,"energy_per_atom":-4.122306665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.05261333,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0089453,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.704000Z","spacegroup":123},{"id":"mp-769560","created_at":"2022-09-04T14:41:35.234830Z","structure_string":"Li4 Ti2 V6 O16\n1.0\n1.725100 -5.677400 -0.024039\n-5.246275 -1.527473 2.545575\n-3.567463 -1.079225 -7.734248\nLi Ti V O\n4 2 6 16\ndirect\n0.749383 0.749496 0.749662 Li\n0.249656 0.250248 0.249458 Li\n0.250549 0.751224 0.748797 Li\n0.749552 0.248107 0.251424 Li\n0.000478 0.996705 0.000247 Ti\n0.499125 0.498676 0.500283 Ti\n0.999757 0.501508 0.499311 V\n0.250672 0.749736 0.249676 V\n0.250568 0.250145 0.751461 V\n0.500852 0.003402 0.999512 V\n0.750785 0.249254 0.749063 V\n0.750517 0.749460 0.251435 V\n0.001086 0.515347 0.268194 O\n0.499473 0.015179 0.768254 O\n0.001077 0.483962 0.730353 O\n0.500070 0.984364 0.230517 O\n0.498244 0.513613 0.270965 O\n0.997328 0.013480 0.770940 O\n0.503871 0.485293 0.729385 O\n0.002237 0.985636 0.229660 O\n0.254392 0.788175 0.006873 O\n0.755851 0.288055 0.506194 O\n0.748679 0.784769 0.011575 O\n0.249880 0.284294 0.511458 O\n0.248561 0.216842 0.990695 O\n0.748663 0.717222 0.490371 O\n0.744258 0.212875 0.991860 O\n0.244427 0.712944 0.492427 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","V","O"],"chemical_system":"Li-O-Ti-V","density":3.7053932319132614,"density_atomic":0.091193852415653,"volume":307.0382406083541,"volume_molar":6.603669655879488,"formula_full":"Li4 Ti2 V6 O16","formula_reduced":"Li2TiV3O8","formula_anonymous":"AB2C3D8","energy":-231.63389813,"energy_per_atom":-8.272639218928571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-210.44189813,"band_gap":0.4448000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.49e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.649000Z","spacegroup":12}]}