{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=121","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=119","results":[{"id":"mp-8578","created_at":"2022-09-04T14:41:17.313387Z","structure_string":"Sc3 In1 C1\n1.0\n4.558098 0.000000 0.000000\n0.000000 4.558098 0.000000\n0.000000 0.000000 4.558098\nSc In C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 C\n","nsites":5,"nelements":3,"elements":["Sc","In","C"],"chemical_system":"C-In-Sc","density":4.588766197322058,"density_atomic":0.052798189358133185,"volume":94.70021720034204,"volume_molar":11.405960759660656,"formula_full":"Sc3 In1 C1","formula_reduced":"Sc3InC","formula_anonymous":"ABC3","energy":-34.32038446,"energy_per_atom":-6.864076892,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.32038446,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.699000Z","spacegroup":221},{"id":"mp-1111487","created_at":"2022-09-04T14:41:17.098572Z","structure_string":"Na3 Y1 Cl6\n1.0\n0.000000 5.318810 5.318810\n5.318810 0.000000 5.318810\n5.318810 5.318810 0.000000\nNa Y Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.753644 0.246356 0.246356 Cl\n0.246356 0.246356 0.753644 Cl\n0.246356 0.753644 0.753644 Cl\n0.246356 0.753644 0.246356 Cl\n0.753644 0.246356 0.753644 Cl\n0.753644 0.753644 0.246356 Cl\n","nsites":10,"nelements":3,"elements":["Na","Y","Cl"],"chemical_system":"Cl-Na-Y","density":2.0449046795418915,"density_atomic":0.03322971178695214,"volume":300.9355020625417,"volume_molar":18.122759531018964,"formula_full":"Na3 Y1 Cl6","formula_reduced":"Na3YCl6","formula_anonymous":"AB3C6","energy":-43.78575300999999,"energy_per_atom":-4.378575301,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.10175301,"band_gap":3.7304,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.18e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.267000Z","spacegroup":225},{"id":"mp-569112","created_at":"2022-09-04T14:41:17.118689Z","structure_string":"Li6 Ca2 Mn2 N6\n1.0\n6.426277 -2.876441 0.000000\n6.426277 2.876441 0.000000\n5.138765 0.000000 4.812904\nLi Ca Mn N\n6 2 2 6\ndirect\n0.478720 0.894674 0.239972 Li\n0.894674 0.239972 0.478720 Li\n0.760028 0.521280 0.105326 Li\n0.521280 0.105326 0.760028 Li\n0.105326 0.760028 0.521280 Li\n0.239972 0.478720 0.894674 Li\n0.337402 0.337402 0.337402 Ca\n0.662598 0.662598 0.662598 Ca\n0.934965 0.934965 0.934965 Mn\n0.065035 0.065035 0.065035 Mn\n0.215978 0.908248 0.616820 N\n0.616820 0.215978 0.908248 N\n0.784022 0.091752 0.383180 N\n0.091752 0.383180 0.784022 N\n0.383180 0.784022 0.091752 N\n0.908248 0.616820 0.215978 N\n","nsites":16,"nelements":4,"elements":["Li","Ca","Mn","N"],"chemical_system":"Ca-Li-Mn-N","density":2.946434102955425,"density_atomic":0.08992239715573674,"volume":177.93119963527633,"volume_molar":6.697042061245592,"formula_full":"Li6 Ca2 Mn2 N6","formula_reduced":"Li3CaMnN3","formula_anonymous":"ABC3D3","energy":-96.58753111,"energy_per_atom":-6.036720694375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.42153111,"band_gap":0.0720999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0006636,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.033000Z","spacegroup":148},{"id":"mp-1112525","created_at":"2022-09-04T14:41:17.121772Z","structure_string":"Cs2 Rb1 Al1 Cl6\n1.0\n0.000000 5.498424 5.498424\n5.498424 0.000000 5.498424\n5.498424 5.498424 0.000000\nCs Rb Al Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.786099 0.213901 0.213901 Cl\n0.213901 0.213901 0.786099 Cl\n0.213901 0.786099 0.786099 Cl\n0.213901 0.786099 0.213901 Cl\n0.786099 0.213901 0.786099 Cl\n0.786099 0.786099 0.213901 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Rb","Al","Cl"],"chemical_system":"Al-Cl-Cs-Rb","density":2.9517251400988536,"density_atomic":0.030078441149475593,"volume":332.4640379567791,"volume_molar":20.021452342137067,"formula_full":"Cs2 Rb1 Al1 Cl6","formula_reduced":"Cs2RbAlCl6","formula_anonymous":"ABC2D6","energy":-39.48100198,"energy_per_atom":-3.948100198,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.79700198,"band_gap":4.6551,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.79e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.055000Z","spacegroup":225},{"id":"mp-561179","created_at":"2022-09-04T14:41:17.122455Z","structure_string":"Ba8 Cu4 I4 O8\n1.0\n4.450883 0.000000 0.000000\n0.000000 11.160257 0.000000\n0.000000 0.345228 14.240055\nBa Cu I O\n8 4 4 8\ndirect\n0.750000 0.090093 0.679906 Ba\n0.250000 0.296247 0.894285 Ba\n0.750000 0.169958 0.143495 Ba\n0.750000 0.703753 0.105715 Ba\n0.250000 0.909907 0.320094 Ba\n0.250000 0.419570 0.405108 Ba\n0.750000 0.580430 0.594892 Ba\n0.250000 0.830042 0.856505 Ba\n0.250000 0.331643 0.653838 Cu\n0.750000 0.668357 0.346162 Cu\n0.250000 0.934134 0.091428 Cu\n0.750000 0.065866 0.908572 Cu\n0.750000 0.152149 0.413812 I\n0.250000 0.436812 0.143888 I\n0.750000 0.563188 0.856112 I\n0.250000 0.847851 0.586188 I\n0.750000 0.943037 0.826641 O\n0.750000 0.533858 0.418823 O\n0.750000 0.802368 0.271172 O\n0.250000 0.790642 0.033588 O\n0.250000 0.466142 0.581177 O\n0.250000 0.197632 0.728828 O\n0.750000 0.209358 0.966412 O\n0.250000 0.056963 0.173359 O\n","nsites":24,"nelements":4,"elements":["Ba","Cu","I","O"],"chemical_system":"Ba-Cu-I-O","density":4.667922835505364,"density_atomic":0.033929636047591666,"volume":707.3462257695961,"volume_molar":17.748910573496865,"formula_full":"Ba8 Cu4 I4 O8","formula_reduced":"Ba2CuIO2","formula_anonymous":"ABC2D2","energy":-130.97137486,"energy_per_atom":-5.457140619166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.95937486,"band_gap":1.9892,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024855,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.452000Z","spacegroup":11},{"id":"mp-532676","created_at":"2022-09-04T14:41:17.125304Z","structure_string":"Li2 Mg2 Al6 Se12 O48\n1.0\n8.530388 0.000000 0.000000\n0.040786 9.091109 0.000000\n0.014790 1.096190 12.417750\nLi Mg Al Se O\n2 2 6 12 48\ndirect\n0.775641 0.598509 0.030065 Li\n0.331509 0.726271 0.907221 Li\n0.497274 0.789013 0.145870 Mg\n0.998612 0.707403 0.845678 Mg\n0.501537 0.799348 0.646154 Al\n0.499165 0.217380 0.855647 Al\n0.997635 0.288176 0.641328 Al\n0.002022 0.296733 0.152066 Al\n0.001654 0.713686 0.360297 Al\n0.498352 0.194794 0.351338 Al\n0.856910 0.641004 0.603407 Se\n0.790525 0.000161 0.251916 Se\n0.648308 0.136837 0.606723 Se\n0.356540 0.152063 0.105356 Se\n0.854654 0.351781 0.895107 Se\n0.292795 0.500944 0.747934 Se\n0.713939 0.491444 0.251137 Se\n0.133966 0.638866 0.111272 Se\n0.641159 0.862906 0.885273 Se\n0.351884 0.856611 0.397757 Se\n0.222244 0.009824 0.746033 Se\n0.143043 0.356090 0.394809 Se\n0.813176 0.607804 0.320075 O\n0.671199 0.658908 0.643835 O\n0.987402 0.703420 0.685563 O\n0.879622 0.735299 0.483942 O\n0.938553 0.915137 0.318826 O\n0.654774 0.952746 0.633836 O\n0.667915 0.057375 0.345938 O\n0.586216 0.031524 0.907799 O\n0.856193 0.141525 0.169722 O\n0.309964 0.134552 0.815336 O\n0.526178 0.191883 0.506231 O\n0.830505 0.187113 0.575763 O\n0.169238 0.165597 0.142938 O\n0.588909 0.218374 0.713755 O\n0.478259 0.215277 0.197162 O\n0.921522 0.279648 0.786447 O\n0.390816 0.252799 0.989450 O\n0.675030 0.292592 0.926789 O\n0.978154 0.299076 0.995019 O\n0.651308 0.355494 0.338436 O\n0.446501 0.415482 0.808209 O\n0.882007 0.460113 0.592922 O\n0.832993 0.436771 0.150842 O\n0.149732 0.455589 0.137827 O\n0.837705 0.536039 0.880199 O\n0.195121 0.570035 0.849259 O\n0.113565 0.535473 0.405732 O\n0.573636 0.573310 0.177019 O\n0.356810 0.636303 0.659964 O\n0.998389 0.687957 0.018333 O\n0.307746 0.695156 0.064009 O\n0.612978 0.751925 0.997482 O\n0.090928 0.724209 0.220079 O\n0.509413 0.789456 0.801904 O\n0.416130 0.768714 0.297104 O\n0.823699 0.862287 0.844681 O\n0.169297 0.807841 0.432027 O\n0.477031 0.808041 0.497710 O\n0.704441 0.888919 0.173374 O\n0.169197 0.873023 0.836833 O\n0.381610 0.975302 0.093258 O\n0.335906 0.946590 0.650273 O\n0.347060 0.041372 0.369457 O\n0.066747 0.088098 0.685309 O\n0.109615 0.260291 0.512072 O\n0.018778 0.289890 0.306814 O\n0.331694 0.339127 0.361443 O\n0.186470 0.391203 0.678115 O\n","nsites":70,"nelements":5,"elements":["Li","Mg","Al","Se","O"],"chemical_system":"Al-Li-Mg-O-Se","density":3.3449813930437466,"density_atomic":0.07268913113624638,"volume":963.0050449880059,"volume_molar":8.284788476439862,"formula_full":"Li2 Mg2 Al6 Se12 O48","formula_reduced":"LiMgAl3(SeO4)6","formula_anonymous":"ABC3D6E24","energy":-433.61094594,"energy_per_atom":-6.194442084857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-400.63494594,"band_gap":2.9775,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006274,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.746000Z","spacegroup":1},{"id":"mp-1278033","created_at":"2022-09-04T14:41:17.125558Z","structure_string":"Sr8 Fe4 Re4 O24\n1.0\n4.867792 -0.001207 -2.781225\n-1.594709 4.595526 2.856361\n8.049004 -9.213520 14.066454\nSr Fe Re O\n8 4 4 24\ndirect\n0.687596 0.375853 0.062707 Sr\n0.186941 0.374321 0.561396 Sr\n0.937249 0.874816 0.812225 Sr\n0.437989 0.875178 0.313773 Sr\n0.313117 0.625719 0.938697 Sr\n0.812394 0.624135 0.437179 Sr\n0.562751 0.125261 0.687966 Sr\n0.061942 0.124781 0.186090 Sr\n0.874734 0.749365 0.624454 Fe\n0.625261 0.250461 0.875619 Fe\n0.374656 0.752007 0.127838 Fe\n0.125422 0.247992 0.372101 Fe\n0.999848 0.999637 0.999170 Re\n0.500227 0.000417 0.500863 Re\n0.250000 0.500000 0.750021 Re\n0.749965 0.499957 0.249950 Re\n0.816849 0.631946 0.938515 O\n0.315350 0.631781 0.438927 O\n0.066582 0.132577 0.688955 O\n0.566516 0.131850 0.188335 O\n0.184496 0.367963 0.061022 O\n0.683332 0.368375 0.561553 O\n0.433463 0.867534 0.811082 O\n0.933384 0.867997 0.311594 O\n0.280213 0.139925 0.929714 O\n0.781084 0.140138 0.430364 O\n0.528922 0.640399 0.679825 O\n0.030578 0.641553 0.179315 O\n0.478883 0.396194 0.802337 O\n0.979481 0.394891 0.302564 O\n0.727880 0.895168 0.552796 O\n0.227338 0.895389 0.052466 O\n0.772271 0.104689 0.947272 O\n0.272493 0.104783 0.447512 O\n0.021226 0.603834 0.697704 O\n0.520401 0.605070 0.197360 O\n0.971026 0.359612 0.820218 O\n0.469479 0.358440 0.320603 O\n0.219555 0.860067 0.570373 O\n0.719105 0.859924 0.069550 O\n","nsites":40,"nelements":4,"elements":["Sr","Fe","Re","O"],"chemical_system":"Fe-O-Re-Sr","density":6.754774307265055,"density_atomic":0.0792501870185244,"volume":504.73067010744296,"volume_molar":7.598897853190364,"formula_full":"Sr8 Fe4 Re4 O24","formula_reduced":"Sr2FeReO6","formula_anonymous":"ABC2D6","energy":-316.75956819,"energy_per_atom":-7.91898920475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.24756819,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.7981499,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.563000Z","spacegroup":2},{"id":"mp-1111177","created_at":"2022-09-04T14:41:17.132787Z","structure_string":"K3 Ce1 Cl6\n1.0\n0.000000 5.728631 5.728631\n5.728631 0.000000 5.728631\n5.728631 5.728631 0.000000\nK Ce Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.239128 0.239128 0.760872 Cl\n0.239128 0.760872 0.760872 Cl\n0.760872 0.760872 0.239128 Cl\n0.239128 0.760872 0.239128 Cl\n0.760872 0.239128 0.760872 Cl\n0.760872 0.239128 0.239128 Cl\n","nsites":10,"nelements":3,"elements":["K","Ce","Cl"],"chemical_system":"Ce-Cl-K","density":2.0762684493649184,"density_atomic":0.02659606942254229,"volume":375.9954089879237,"volume_molar":22.64297278039046,"formula_full":"K3 Ce1 Cl6","formula_reduced":"K3CeCl6","formula_anonymous":"AB3C6","energy":-44.165603,"energy_per_atom":-4.4165602999999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.481603,"band_gap":0.3591999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9947167,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.747000Z","spacegroup":225},{"id":"mp-8758","created_at":"2022-09-04T14:41:17.141448Z","structure_string":"Sm1 Rh1 C2\n1.0\n2.357653 -3.302563 0.000000\n2.357653 3.302563 0.000000\n0.000000 0.000000 3.639572\nSm Rh C\n1 1 2\ndirect\n0.999310 0.000690 0.000000 Sm\n0.374941 0.625059 0.500000 Rh\n0.542579 0.171129 0.500000 C\n0.828871 0.457421 0.500000 C\n","nsites":4,"nelements":3,"elements":["Sm","Rh","C"],"chemical_system":"C-Rh-Sm","density":8.12394813537972,"density_atomic":0.07057464195402399,"volume":56.67758119985659,"volume_molar":8.533009298046652,"formula_full":"Sm1 Rh1 C2","formula_reduced":"SmRhC2","formula_anonymous":"ABC2","energy":-31.71216751,"energy_per_atom":-7.9280418775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.71216751,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.74e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.100000Z","spacegroup":38},{"id":"mp-1283838","created_at":"2022-09-04T14:41:17.149182Z","structure_string":"Co4 H4 O8\n1.0\n2.778453 -0.184450 3.983487\n-4.401290 2.694294 0.854091\n-2.357194 -5.199969 1.988962\nCo H O\n4 4 8\ndirect\n0.002406 0.496591 0.749992 Co\n0.998135 0.991403 0.497404 Co\n0.001535 0.508190 0.252582 Co\n0.997878 0.003734 0.000022 Co\n0.455541 0.985623 0.755268 H\n0.538720 0.009297 0.242838 H\n0.460014 0.489847 0.506947 H\n0.545233 0.515182 0.994799 H\n0.223746 0.901283 0.756164 O\n0.221439 0.917682 0.251086 O\n0.226965 0.412811 0.503892 O\n0.213307 0.398330 0.007718 O\n0.786943 0.101946 0.742267 O\n0.772406 0.086603 0.245843 O\n0.778888 0.582225 0.499121 O\n0.776843 0.599253 0.994058 O\n","nsites":16,"nelements":3,"elements":["Co","H","O"],"chemical_system":"Co-H-O","density":4.286878826346007,"density_atomic":0.1123176244239928,"volume":142.45315534453334,"volume_molar":5.361705957443288,"formula_full":"Co4 H4 O8","formula_reduced":"CoHO2","formula_anonymous":"ABC2","energy":-101.13980456,"energy_per_atom":-6.321237785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.09180456,"band_gap":0.4574,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999518,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.987000Z","spacegroup":2},{"id":"mp-1185831","created_at":"2022-09-04T14:41:17.151413Z","structure_string":"Mg5 Pb1\n1.0\n1.669231 5.898929 0.000000\n-1.669231 5.898929 0.000000\n0.000000 2.040920 7.391988\nMg Pb\n5 1\ndirect\n0.997295 0.997295 0.995204 Mg\n0.280719 0.280719 0.939563 Mg\n0.668129 0.668129 0.670808 Mg\n0.942376 0.942376 0.614237 Mg\n0.334037 0.334037 0.334791 Mg\n0.610780 0.610780 0.278731 Pb\n","nsites":6,"nelements":2,"elements":["Mg","Pb"],"chemical_system":"Mg-Pb","density":3.7497384154734315,"density_atomic":0.04121643177543059,"volume":145.57300915060392,"volume_molar":14.611019199361747,"formula_full":"Mg5 Pb1","formula_reduced":"Mg5Pb","formula_anonymous":"AB5","energy":-11.67469818,"energy_per_atom":-1.94578303,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.67469818,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.61e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.910000Z","spacegroup":8},{"id":"mp-1204026","created_at":"2022-09-04T14:41:09.443677Z","structure_string":"Si48 O96\n1.0\n-7.776239 7.776239 7.776239\n7.776239 -7.776239 7.776239\n7.776239 7.776239 -7.776239\nSi O\n48 96\ndirect\n0.436216 0.265840 0.875108 Si\n0.609268 0.234160 0.670376 Si\n0.890732 0.561108 0.624892 Si\n0.063784 0.938892 0.829624 Si\n0.875108 0.436216 0.265840 Si\n0.670376 0.609268 0.234160 Si\n0.624892 0.890732 0.561108 Si\n0.829624 0.063784 0.938892 Si\n0.265840 0.875108 0.436216 Si\n0.234160 0.670376 0.609268 Si\n0.561108 0.624892 0.890732 Si\n0.938892 0.829624 0.063784 Si\n0.563784 0.734160 0.124892 Si\n0.390732 0.765840 0.329624 Si\n0.109268 0.438892 0.375108 Si\n0.936216 0.061108 0.170376 Si\n0.124892 0.563784 0.734160 Si\n0.329624 0.390732 0.765840 Si\n0.375108 0.109268 0.438892 Si\n0.170376 0.936216 0.061108 Si\n0.734160 0.124892 0.563784 Si\n0.765840 0.329624 0.390732 Si\n0.438892 0.375108 0.109268 Si\n0.061108 0.170376 0.936216 Si\n0.063784 0.624892 0.234160 Si\n0.609268 0.875108 0.938892 Si\n0.890732 0.829624 0.265840 Si\n0.436216 0.670376 0.561108 Si\n0.234160 0.063784 0.624892 Si\n0.938892 0.609268 0.875108 Si\n0.265840 0.890732 0.829624 Si\n0.561108 0.436216 0.670376 Si\n0.624892 0.234160 0.063784 Si\n0.875108 0.938892 0.609268 Si\n0.829624 0.265840 0.890732 Si\n0.670376 0.561108 0.436216 Si\n0.936216 0.375108 0.765840 Si\n0.390732 0.124892 0.061108 Si\n0.109268 0.170376 0.734160 Si\n0.563784 0.329624 0.438892 Si\n0.765840 0.936216 0.375108 Si\n0.061108 0.390732 0.124892 Si\n0.734160 0.109268 0.170376 Si\n0.438892 0.563784 0.329624 Si\n0.375108 0.765840 0.936216 Si\n0.124892 0.061108 0.390732 Si\n0.170376 0.734160 0.109268 Si\n0.329624 0.438892 0.563784 Si\n0.376306 0.311807 0.958312 O\n0.646506 0.188193 0.564499 O\n0.853494 0.417993 0.541688 O\n0.123694 0.082007 0.935501 O\n0.958312 0.376306 0.311807 O\n0.564499 0.646506 0.188193 O\n0.541688 0.853494 0.417993 O\n0.935501 0.123694 0.082007 O\n0.311807 0.958312 0.376306 O\n0.188193 0.564499 0.646506 O\n0.417993 0.541688 0.853494 O\n0.082007 0.935501 0.123694 O\n0.623694 0.688193 0.041688 O\n0.353494 0.811807 0.435501 O\n0.146506 0.582007 0.458312 O\n0.876306 0.917993 0.064499 O\n0.041688 0.623694 0.688193 O\n0.435501 0.353494 0.811807 O\n0.458312 0.146506 0.582007 O\n0.064499 0.876306 0.917993 O\n0.688193 0.041688 0.623694 O\n0.811807 0.435501 0.353494 O\n0.582007 0.458312 0.146506 O\n0.917993 0.064499 0.876306 O\n0.123694 0.541688 0.188193 O\n0.646506 0.958312 0.082007 O\n0.853494 0.935501 0.311807 O\n0.376306 0.564499 0.417993 O\n0.188193 0.123694 0.541688 O\n0.082007 0.646506 0.958312 O\n0.311807 0.853494 0.935501 O\n0.417993 0.376306 0.564499 O\n0.541688 0.188193 0.123694 O\n0.958312 0.082007 0.646506 O\n0.935501 0.311807 0.853494 O\n0.564499 0.417993 0.376306 O\n0.876306 0.458312 0.811807 O\n0.353494 0.041688 0.917993 O\n0.146506 0.064499 0.688193 O\n0.623694 0.435501 0.582007 O\n0.811807 0.876306 0.458312 O\n0.917993 0.353494 0.041688 O\n0.688193 0.146506 0.064499 O\n0.582007 0.623694 0.435501 O\n0.458312 0.811807 0.876306 O\n0.041688 0.917993 0.353494 O\n0.064499 0.688193 0.146506 O\n0.435501 0.582007 0.623694 O\n0.363514 0.136486 0.750000 O\n0.613514 0.363514 0.727028 O\n0.886486 0.613514 0.750000 O\n0.136486 0.886486 0.772972 O\n0.750000 0.363514 0.136486 O\n0.727028 0.613514 0.363514 O\n0.750000 0.886486 0.613514 O\n0.772972 0.136486 0.886486 O\n0.136486 0.750000 0.363514 O\n0.363514 0.727028 0.613514 O\n0.613514 0.750000 0.886486 O\n0.886486 0.772972 0.136486 O\n0.636486 0.863514 0.250000 O\n0.386486 0.636486 0.272972 O\n0.113514 0.386486 0.250000 O\n0.863514 0.113514 0.227028 O\n0.250000 0.636486 0.863514 O\n0.272972 0.386486 0.636486 O\n0.250000 0.113514 0.386486 O\n0.227028 0.863514 0.113514 O\n0.863514 0.250000 0.636486 O\n0.636486 0.272972 0.386486 O\n0.386486 0.250000 0.113514 O\n0.113514 0.227028 0.863514 O\n0.548473 0.250000 0.951527 O\n0.701527 0.250000 0.798473 O\n0.798473 0.596946 0.548473 O\n0.951527 0.903054 0.701527 O\n0.951527 0.548473 0.250000 O\n0.798473 0.701527 0.250000 O\n0.548473 0.798473 0.596946 O\n0.701527 0.951527 0.903054 O\n0.250000 0.951527 0.548473 O\n0.250000 0.798473 0.701527 O\n0.596946 0.548473 0.798473 O\n0.903054 0.701527 0.951527 O\n0.451527 0.750000 0.048473 O\n0.298473 0.750000 0.201527 O\n0.201527 0.403054 0.451527 O\n0.048473 0.096946 0.298473 O\n0.048473 0.451527 0.750000 O\n0.201527 0.298473 0.750000 O\n0.451527 0.201527 0.403054 O\n0.298473 0.048473 0.096946 O\n0.750000 0.048473 0.451527 O\n0.750000 0.201527 0.298473 O\n0.403054 0.451527 0.201527 O\n0.096946 0.298473 0.048473 O\n","nsites":144,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.546141580647245,"density_atomic":0.07655855023115239,"volume":1880.9133606268977,"volume_molar":7.866059038235986,"formula_full":"Si48 O96","formula_reduced":"SiO2","formula_anonymous":"AB2","energy":-1161.88990982,"energy_per_atom":-8.068679929305555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1095.93790982,"band_gap":4.1957,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0434628,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.470000Z","spacegroup":230}]}