{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=created_at&page=105","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=created_at&page=103","results":[{"id":"mp-21245","created_at":"2022-09-04T14:39:08.724684Z","structure_string":"Ce2 Pt2\n1.0\n1.927707 -5.548803 0.000000\n1.927707 5.548803 0.000000\n0.000000 0.000000 4.428339\nCe Pt\n2 2\ndirect\n0.863613 0.136387 0.250000 Ce\n0.136387 0.863613 0.750000 Ce\n0.594710 0.405290 0.250000 Pt\n0.405290 0.594710 0.750000 Pt\n","nsites":4,"nelements":2,"elements":["Ce","Pt"],"chemical_system":"Ce-Pt","density":11.750921281911207,"density_atomic":0.04222297257983535,"volume":94.73515850729802,"volume_molar":14.262711486296505,"formula_full":"Ce2 Pt2","formula_reduced":"CePt","formula_anonymous":"AB","energy":-28.34696925,"energy_per_atom":-7.0867423125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.34696925,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9925459,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.388000Z","spacegroup":63},{"id":"mp-570752","created_at":"2022-09-04T14:39:08.729714Z","structure_string":"H2\n1.0\n2.565599 -4.443747 0.000000\n2.565599 4.443747 0.000000\n0.000000 0.000000 3.811892\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n","nsites":2,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.03851279942818898,"density_atomic":0.02301024855629813,"volume":86.91779209193203,"volume_molar":26.17155892630148,"formula_full":"H2","formula_reduced":"H","formula_anonymous":"A","energy":-2.22412334,"energy_per_atom":-1.11206167,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.22412334,"band_gap":6.6359,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.676000Z","spacegroup":194},{"id":"mp-771711","created_at":"2022-09-04T14:39:08.733764Z","structure_string":"Li4 V3 Co1 O8\n1.0\n2.974759 5.165261 0.000000\n-2.974759 5.165261 0.000000\n0.000000 3.430300 4.883118\nLi V Co O\n4 3 1 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Co\n0.739978 0.739978 0.766542 O\n0.261150 0.726930 0.770600 O\n0.246363 0.246363 0.774714 O\n0.260022 0.260022 0.233458 O\n0.726930 0.261150 0.770600 O\n0.738850 0.273070 0.229400 O\n0.753637 0.753637 0.225286 O\n0.273070 0.738850 0.229400 O\n","nsites":16,"nelements":4,"elements":["Li","V","Co","O"],"chemical_system":"Co-Li-O-V","density":4.066821707323414,"density_atomic":0.10662246273402447,"volume":150.06218755153753,"volume_molar":5.648097601180492,"formula_full":"Li4 V3 Co1 O8","formula_reduced":"Li4V3CoO8","formula_anonymous":"AB3C4D8","energy":-117.55177562,"energy_per_atom":-7.34698597625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.31777562,"band_gap":0.6890999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.1956008,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.394000Z","spacegroup":12},{"id":"mp-560905","created_at":"2022-09-04T14:39:08.740551Z","structure_string":"Na4 Np2 H4 C6 O18\n1.0\n6.951845 0.000000 0.000000\n3.059875 7.871972 0.000000\n2.846706 1.081021 8.218087\nNa Np H C O\n4 2 4 6 18\ndirect\n0.510358 0.618060 0.790043 Na\n0.489642 0.381940 0.209957 Na\n0.364251 0.037465 0.821097 Na\n0.635749 0.962535 0.178903 Na\n0.966995 0.836530 0.725780 Np\n0.033005 0.163470 0.274220 Np\n0.694924 0.647614 0.409493 H\n0.305076 0.352386 0.590507 H\n0.681090 0.791718 0.500726 H\n0.318910 0.208282 0.499274 H\n0.299060 0.777452 0.156820 C\n0.700940 0.222548 0.843180 C\n0.776932 0.269726 0.655767 C\n0.223068 0.730274 0.344233 C\n0.084239 0.444812 0.934303 C\n0.915761 0.555188 0.065697 C\n0.886480 0.139122 0.576840 O\n0.276680 0.188289 0.299655 O\n0.730482 0.422373 0.594824 O\n0.794641 0.137979 0.245001 O\n0.381605 0.659889 0.069489 O\n0.849096 0.715055 0.022623 O\n0.205359 0.862021 0.754999 O\n0.723320 0.811711 0.700345 O\n0.272784 0.937749 0.106041 O\n0.113520 0.860878 0.423160 O\n0.269518 0.577627 0.405176 O\n0.857470 0.475410 0.205630 O\n0.727216 0.062251 0.893959 O\n0.618395 0.340111 0.930511 O\n0.359356 0.228334 0.588968 O\n0.640644 0.771666 0.411032 O\n0.150904 0.284945 0.977377 O\n0.142530 0.524590 0.794370 O\n","nsites":34,"nelements":5,"elements":["Na","Np","H","C","O"],"chemical_system":"C-H-Na-Np-O","density":3.433984636923964,"density_atomic":0.07560048147410912,"volume":449.7325855212175,"volume_molar":7.965743924610323,"formula_full":"Na4 Np2 H4 C6 O18","formula_reduced":"Na2NpH2(CO3)3","formula_anonymous":"AB2C2D3E9","energy":-258.76390938,"energy_per_atom":-7.6107032170588225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-246.39790938,"band_gap":1.0217,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.979116,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.381000Z","spacegroup":2},{"id":"mp-865048","created_at":"2022-09-04T14:39:08.744954Z","structure_string":"Ti1 Zn1 Ir2\n1.0\n0.000000 3.067706 3.067706\n3.067706 0.000000 3.067706\n3.067706 3.067706 0.000000\nTi Zn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n","nsites":4,"nelements":3,"elements":["Ti","Zn","Ir"],"chemical_system":"Ir-Ti-Zn","density":14.313777472598122,"density_atomic":0.06927695467408063,"volume":57.739258586327054,"volume_molar":8.692848564622503,"formula_full":"Ti1 Zn1 Ir2","formula_reduced":"TiZnIr2","formula_anonymous":"ABC2","energy":-29.6619482,"energy_per_atom":-7.41548705,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.6619482,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001845,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.558000Z","spacegroup":225},{"id":"mp-11029","created_at":"2022-09-04T14:39:08.749644Z","structure_string":"Y1 Al8 Cu4\n1.0\n-4.401712 4.401712 2.569504\n4.401712 -4.401712 2.569504\n4.401712 4.401712 -2.569504\nY Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.348072 0.348072 Al\n0.651928 0.000000 0.651928 Al\n0.348072 0.000000 0.348072 Al\n0.000000 0.651928 0.651928 Al\n0.500000 0.280877 0.780877 Al\n0.719123 0.500000 0.219123 Al\n0.280877 0.500000 0.780877 Al\n0.500000 0.719123 0.219123 Al\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n","nsites":13,"nelements":3,"elements":["Y","Al","Cu"],"chemical_system":"Al-Cu-Y","density":4.660831781686387,"density_atomic":0.06528160383060698,"volume":199.1372643621389,"volume_molar":9.224866435001015,"formula_full":"Y1 Al8 Cu4","formula_reduced":"Y(Al2Cu)4","formula_anonymous":"AB4C8","energy":-56.8764806,"energy_per_atom":-4.375113892307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.8764806,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037967,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.538000Z","spacegroup":139},{"id":"mp-1176708","created_at":"2022-09-04T14:39:08.756092Z","structure_string":"Li4 Ni8 O4 F12\n1.0\n5.041695 0.000000 0.000000\n0.000000 5.978615 0.000000\n0.000000 0.000000 10.216444\nLi Ni O F\n4 8 4 12\ndirect\n0.967449 0.750000 0.592609 Li\n0.532551 0.750000 0.092609 Li\n0.467449 0.250000 0.907391 Li\n0.032551 0.250000 0.407391 Li\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.993724 0.250000 0.741447 Ni\n0.506276 0.250000 0.241447 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.493724 0.750000 0.758553 Ni\n0.006276 0.750000 0.258553 Ni\n0.830138 0.250000 0.913944 O\n0.669862 0.250000 0.413944 O\n0.330138 0.750000 0.586056 O\n0.169862 0.750000 0.086056 O\n0.778099 0.750000 0.425488 F\n0.760696 0.991203 0.669678 F\n0.760696 0.508797 0.669678 F\n0.739304 0.991203 0.169678 F\n0.739304 0.508797 0.169678 F\n0.721901 0.750000 0.925488 F\n0.278099 0.250000 0.074512 F\n0.260696 0.008797 0.830322 F\n0.260696 0.491203 0.830322 F\n0.239304 0.491203 0.330322 F\n0.239304 0.008797 0.330322 F\n0.221901 0.250000 0.574512 F\n","nsites":28,"nelements":4,"elements":["Li","Ni","O","F"],"chemical_system":"F-Li-Ni-O","density":4.256068248476895,"density_atomic":0.09092454068504514,"volume":307.94766505326226,"volume_molar":6.623229234514565,"formula_full":"Li4 Ni8 O4 F12","formula_reduced":"LiNi2OF3","formula_anonymous":"ABC2D3","energy":-157.07345959,"energy_per_atom":-5.609766413928571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.45345959,"band_gap":2.8141,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0001013,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.609000Z","spacegroup":62},{"id":"mp-19185","created_at":"2022-09-04T14:39:08.758622Z","structure_string":"Mn6 B4 O12\n1.0\n4.693329 0.000006 0.000001\n0.000007 5.755211 0.000000\n0.000001 0.000000 8.818009\nMn B O\n6 4 12\ndirect\n0.000001 0.000000 0.000025 Mn\n0.499998 0.999996 0.687830 Mn\n0.000000 0.500001 0.188079 Mn\n0.500001 0.500000 0.499982 Mn\n0.000000 0.500001 0.812129 Mn\n0.500000 0.000000 0.311904 Mn\n0.038319 0.243141 0.500023 B\n0.461686 0.743139 0.999984 B\n0.961681 0.756859 0.500022 B\n0.538314 0.256861 0.999984 B\n0.253202 0.318106 0.000022 O\n0.753209 0.181899 0.499981 O\n0.246790 0.818101 0.499980 O\n0.746799 0.681894 0.000022 O\n0.311534 0.787812 0.134559 O\n0.811530 0.712191 0.365455 O\n0.311632 0.787701 0.865445 O\n0.688368 0.212299 0.865446 O\n0.811635 0.712292 0.634557 O\n0.188366 0.287708 0.634557 O\n0.688466 0.212188 0.134559 O\n0.188470 0.287809 0.365455 O\n","nsites":22,"nelements":3,"elements":["Mn","B","O"],"chemical_system":"B-Mn-O","density":3.9380482219160173,"density_atomic":0.09236552294609292,"volume":238.18411132517284,"volume_molar":6.519901114525913,"formula_full":"Mn6 B4 O12","formula_reduced":"Mn3(BO3)2","formula_anonymous":"A2B3C6","energy":-194.66110063,"energy_per_atom":-8.848231846818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.40910063,"band_gap":2.0333,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.516000Z","spacegroup":58},{"id":"mp-1179215","created_at":"2022-09-04T14:39:08.759317Z","structure_string":"Sr4 O40\n1.0\n6.882677 0.000000 0.000000\n0.000000 6.882677 0.000000\n0.000000 0.000000 11.782766\nSr O\n4 40\ndirect\n0.500000 0.500000 0.750000 Sr\n0.500000 0.500000 0.250000 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.000000 0.500000 0.618712 O\n0.000000 0.500000 0.118712 O\n0.500000 0.000000 0.381288 O\n0.500000 0.000000 0.881288 O\n0.000000 0.500000 0.866555 O\n0.000000 0.500000 0.366555 O\n0.500000 0.000000 0.133445 O\n0.500000 0.000000 0.633445 O\n0.744895 0.653262 0.600268 O\n0.744895 0.346738 0.100268 O\n0.755105 0.846738 0.399732 O\n0.244895 0.846738 0.899732 O\n0.255105 0.346738 0.600268 O\n0.255105 0.653262 0.100268 O\n0.244895 0.153262 0.399732 O\n0.755105 0.153262 0.899732 O\n0.653262 0.255105 0.399732 O\n0.346738 0.255105 0.899732 O\n0.153262 0.755105 0.600268 O\n0.846738 0.755105 0.100268 O\n0.346738 0.744895 0.399732 O\n0.653262 0.744895 0.899732 O\n0.846738 0.244895 0.600268 O\n0.153262 0.244895 0.100268 O\n0.746554 0.660762 0.396197 O\n0.746554 0.339238 0.896197 O\n0.753446 0.839238 0.603803 O\n0.246554 0.839238 0.103803 O\n0.253446 0.339238 0.396197 O\n0.253446 0.660762 0.896197 O\n0.246554 0.160762 0.603803 O\n0.753446 0.160762 0.103803 O\n0.660762 0.253446 0.603803 O\n0.339238 0.253446 0.103803 O\n0.160762 0.753446 0.396197 O\n0.839238 0.753446 0.896197 O\n0.339238 0.746554 0.603803 O\n0.660762 0.746554 0.103803 O\n0.839238 0.246554 0.396197 O\n0.160762 0.246554 0.896197 O\n","nsites":44,"nelements":2,"elements":["Sr","O"],"chemical_system":"O-Sr","density":2.946607256890533,"density_atomic":0.07882984014926851,"volume":558.1642677022261,"volume_molar":7.639417698420744,"formula_full":"Sr4 O40","formula_reduced":"SrO10","formula_anonymous":"AB10","energy":-210.44572,"energy_per_atom":-4.782857272727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.00572,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0368252,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.721000Z","spacegroup":130},{"id":"mp-1031286","created_at":"2022-09-04T14:39:08.761044Z","structure_string":"K1 Rb1 Mg6 O7\n1.0\n8.022175 0.000000 0.000000\n0.000000 4.929044 0.000000\n0.000000 0.000000 4.929044\nK Rb Mg O\n1 1 6 7\ndirect\n0.021504 -0.000000 0.000000 K\n0.442246 -0.000000 0.000000 Rb\n0.001913 0.500000 0.500000 Mg\n0.508331 0.500000 0.500000 Mg\n0.253551 0.000000 0.500000 Mg\n0.750218 -0.000000 0.500000 Mg\n0.253551 0.500000 -0.000000 Mg\n0.750218 0.500000 0.000000 Mg\n0.738231 -0.000000 0.000000 O\n0.255349 0.500000 0.500000 O\n0.755118 0.500000 0.500000 O\n0.014696 0.000000 0.500000 O\n0.495189 0.000000 0.500000 O\n0.014696 0.500000 0.000000 O\n0.495189 0.500000 0.000000 O\n","nsites":15,"nelements":4,"elements":["K","Rb","Mg","O"],"chemical_system":"K-Mg-O-Rb","density":3.257918832264808,"density_atomic":0.07696153788561017,"volume":194.90255018415655,"volume_molar":7.824870611279698,"formula_full":"K1 Rb1 Mg6 O7","formula_reduced":"KRbMg6O7","formula_anonymous":"ABC6D7","energy":-78.14436125,"energy_per_atom":-5.209624083333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.33536125,"band_gap":3.0730000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.424000Z","spacegroup":99},{"id":"mp-1520168","created_at":"2022-09-04T14:39:08.762558Z","structure_string":"Na1 Ca1 Tb1 W1 O6\n1.0\n0.000000 -4.163277 -4.163277\n4.163277 0.000000 -4.163277\n4.163277 -4.163277 0.000000\nNa Ca Tb W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 -0.000000 Tb\n0.500000 0.500000 0.500000 W\n0.733187 0.266813 0.266813 O\n0.266813 0.733187 0.733187 O\n0.733187 0.266813 0.733187 O\n0.266813 0.733187 0.266813 O\n0.733187 0.733187 0.266813 O\n0.266813 0.266813 0.733187 O\n","nsites":10,"nelements":5,"elements":["Na","Ca","Tb","W","O"],"chemical_system":"Ca-Na-O-Tb-W","density":5.773901681703833,"density_atomic":0.0692889663476263,"volume":144.32312281625747,"volume_molar":8.6913416052227,"formula_full":"Na1 Ca1 Tb1 W1 O6","formula_reduced":"NaCaTbWO6","formula_anonymous":"ABCDE6","energy":-78.89680778,"energy_per_atom":-7.889680778000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.33680778,"band_gap":2.8566,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.435000Z","spacegroup":216},{"id":"mp-1044619","created_at":"2022-09-04T14:39:08.762873Z","structure_string":"Mg6 Sn12 O24\n1.0\n3.312044 5.724432 0.000000\n-3.312044 5.724432 0.000000\n0.000000 0.182606 15.989577\nMg Sn O\n6 12 24\ndirect\n0.832792 0.832792 0.047773 Mg\n0.506142 0.506142 0.383244 Mg\n0.500009 0.500009 0.999707 Mg\n0.171838 0.171838 0.716932 Mg\n0.828768 0.828768 0.281348 Mg\n0.493966 0.493966 0.619866 Mg\n0.336651 0.825366 0.163980 Sn\n0.337108 0.337108 0.164006 Sn\n0.000976 0.501532 0.499398 Sn\n0.825366 0.336651 0.163980 Sn\n0.163984 0.163984 0.330524 Sn\n0.001948 0.001948 0.499459 Sn\n0.666733 0.170594 0.834525 Sn\n0.501532 0.000976 0.499398 Sn\n0.170594 0.666733 0.834525 Sn\n0.837068 0.837068 0.665542 Sn\n0.665507 0.665507 0.834309 Sn\n0.166428 0.166428 0.948540 Sn\n0.652299 0.652299 0.081612 O\n0.496111 0.496111 0.247025 O\n0.197521 0.648281 0.082481 O\n0.648281 0.197521 0.082481 O\n0.001699 0.503084 0.229633 O\n0.329699 0.329699 0.429070 O\n0.503084 0.001699 0.229633 O\n0.168319 0.168319 0.104426 O\n0.837761 0.360666 0.426031 O\n0.178506 0.178506 0.578296 O\n0.995488 0.995488 0.231126 O\n0.360666 0.837761 0.426031 O\n0.631685 0.161754 0.579370 O\n0.008266 0.008266 0.770738 O\n0.161754 0.631685 0.579370 O\n0.815762 0.815762 0.418632 O\n0.833140 0.833140 0.909871 O\n0.490158 0.004087 0.773195 O\n0.674221 0.674221 0.573190 O\n0.004087 0.490158 0.773195 O\n0.365072 0.773435 0.910782 O\n0.502631 0.502631 0.754540 O\n0.773435 0.365072 0.910782 O\n0.361958 0.361958 0.911443 O\n","nsites":42,"nelements":3,"elements":["Mg","Sn","O"],"chemical_system":"Mg-O-Sn","density":5.352451882161128,"density_atomic":0.06927137711552177,"volume":606.3110298782984,"volume_molar":8.69354849111352,"formula_full":"Mg6 Sn12 O24","formula_reduced":"Mg(SnO2)2","formula_anonymous":"AB2C4","energy":-259.78723393,"energy_per_atom":-6.185410331666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.29923393,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1335061,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.560000Z","spacegroup":8}]}