{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=76","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=74","results":[{"id":"mp-1207420","created_at":"2022-09-04T14:48:26.765595Z","structure_string":"Zr18 Mo8 S2\n1.0\n4.381616 -7.589181 0.000000\n4.381616 7.589181 0.000000\n0.000000 0.000000 8.654439\nZr Mo S\n18 8 2\ndirect\n0.538308 0.076617 0.250000 Zr\n0.461692 0.923383 0.750000 Zr\n0.923383 0.461692 0.250000 Zr\n0.076617 0.538308 0.750000 Zr\n0.538308 0.461692 0.250000 Zr\n0.461692 0.538308 0.750000 Zr\n0.198298 0.396595 0.047986 Zr\n0.801702 0.603405 0.952014 Zr\n0.603405 0.801702 0.047986 Zr\n0.801702 0.603405 0.547986 Zr\n0.396595 0.198298 0.952014 Zr\n0.198298 0.396595 0.452014 Zr\n0.198298 0.801702 0.047986 Zr\n0.396595 0.198298 0.547986 Zr\n0.801702 0.198298 0.952014 Zr\n0.603405 0.801702 0.452014 Zr\n0.801702 0.198298 0.547986 Zr\n0.198298 0.801702 0.452014 Zr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.891381 0.782763 0.250000 Mo\n0.108619 0.217237 0.750000 Mo\n0.217237 0.108619 0.250000 Mo\n0.782763 0.891381 0.750000 Mo\n0.891381 0.108619 0.250000 Mo\n0.108619 0.891381 0.750000 Mo\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n","nsites":28,"nelements":3,"elements":["Zr","Mo","S"],"chemical_system":"Mo-S-Zr","density":7.136657010176484,"density_atomic":0.04864742866735993,"volume":575.5699893504678,"volume_molar":12.37915533250078,"formula_full":"Zr18 Mo8 S2","formula_reduced":"Zr9Mo4S","formula_anonymous":"AB4C9","energy":-257.57331501,"energy_per_atom":-9.199046964642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.56731501,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.35e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:49.079000Z","spacegroup":194},{"id":"mp-555945","created_at":"2022-09-04T14:48:28.836197Z","structure_string":"H24 Os1 C8 N2 F6\n1.0\n7.139002 -4.080528 0.000000\n7.139002 4.080528 0.000000\n4.806645 0.000000 6.671749\nH Os C N F\n24 1 8 2 6\ndirect\n0.284842 0.974193 0.252331 H\n0.283117 0.251496 0.487478 H\n0.507616 0.987917 0.230533 H\n0.492384 0.012083 0.769467 H\n0.974194 0.252331 0.284842 H\n0.465780 0.307010 0.960228 H\n0.251496 0.487478 0.283117 H\n0.748504 0.512522 0.716883 H\n0.692990 0.039772 0.534220 H\n0.960228 0.465780 0.307010 H\n0.025807 0.747669 0.715158 H\n0.715158 0.025807 0.747669 H\n0.987917 0.230533 0.507616 H\n0.716883 0.748504 0.512522 H\n0.230533 0.507616 0.987917 H\n0.012083 0.769467 0.492384 H\n0.487478 0.283117 0.251496 H\n0.769467 0.492384 0.012083 H\n0.307010 0.960228 0.465780 H\n0.512522 0.716883 0.748504 H\n0.534220 0.692990 0.039772 H\n0.747669 0.715158 0.025807 H\n0.039772 0.534220 0.692990 H\n0.252331 0.284842 0.974193 H\n0.000000 0.000000 0.000000 Os\n0.974646 0.696622 0.655850 C\n0.676511 0.676511 0.676511 C\n0.696622 0.655850 0.974646 C\n0.344150 0.025354 0.303378 C\n0.025354 0.303378 0.344150 C\n0.655850 0.974646 0.696622 C\n0.303378 0.344150 0.025354 C\n0.323489 0.323489 0.323489 C\n0.249221 0.249221 0.249221 N\n0.750779 0.750779 0.750779 N\n0.193880 0.832189 0.140514 F\n0.859486 0.806120 0.167811 F\n0.167811 0.859486 0.806120 F\n0.140514 0.193880 0.832189 F\n0.832189 0.140514 0.193880 F\n0.806120 0.167811 0.859486 F\n","nsites":41,"nelements":5,"elements":["H","Os","C","N","F"],"chemical_system":"C-F-H-N-Os","density":1.9330972270005344,"density_atomic":0.10547761372313667,"volume":388.70807323740763,"volume_molar":5.709401784351361,"formula_full":"H24 Os1 C8 N2 F6","formula_reduced":"H24OsC8(NF3)2","formula_anonymous":"AB2C6D8E24","energy":-218.64284855,"energy_per_atom":-5.332752403658536,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.14884855,"band_gap":6.684900000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0007345,"is_theoretical":false,"updated_at":"2021-11-28T01:39:49.029000Z","spacegroup":148},{"id":"mp-1193219","created_at":"2022-09-04T14:48:30.576278Z","structure_string":"Fe4 Mo8 S16\n1.0\n3.245033 5.923911 0.000000\n-3.245033 5.923911 0.000000\n0.000000 5.556598 11.764501\nFe Mo S\n4 8 16\ndirect\n0.535059 0.281263 0.450308 Fe\n0.281263 0.535059 0.950308 Fe\n0.800578 0.038580 0.948707 Fe\n0.038580 0.800578 0.448707 Fe\n0.869331 0.652036 0.706104 Mo\n0.652036 0.869331 0.206104 Mo\n0.462323 0.670250 0.692971 Mo\n0.670250 0.462323 0.192971 Mo\n0.932318 0.214987 0.689670 Mo\n0.214987 0.932318 0.189670 Mo\n0.400244 0.107746 0.707305 Mo\n0.107746 0.400244 0.207305 Mo\n0.824017 0.579746 0.550179 S\n0.579746 0.824017 0.050179 S\n0.506645 0.745280 0.848226 S\n0.745280 0.506645 0.348226 S\n0.030280 0.782031 0.807540 S\n0.782031 0.030280 0.307540 S\n0.302171 0.539980 0.590686 S\n0.539980 0.302171 0.090686 S\n0.531355 0.263439 0.815654 S\n0.263439 0.531355 0.315654 S\n0.801254 0.059350 0.583553 S\n0.059350 0.801254 0.083553 S\n0.316457 0.056340 0.559507 S\n0.056340 0.316457 0.059507 S\n0.015781 0.265158 0.838589 S\n0.265158 0.015781 0.338589 S\n","nsites":28,"nelements":3,"elements":["Fe","Mo","S"],"chemical_system":"Fe-Mo-S","density":5.521390432462006,"density_atomic":0.061905164489769314,"volume":452.3047508358917,"volume_molar":9.72801027125167,"formula_full":"Fe4 Mo8 S16","formula_reduced":"Fe(MoS2)2","formula_anonymous":"AB2C4","energy":-211.66016323,"energy_per_atom":-7.5592915439285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.61216323,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.8602538,"is_theoretical":false,"updated_at":"2021-11-28T01:39:49.023000Z","spacegroup":9},{"id":"mp-862894","created_at":"2022-09-04T14:48:29.651227Z","structure_string":"Ac1 Sb1 Au2\n1.0\n0.000000 3.724962 3.724962\n3.724962 0.000000 3.724962\n3.724962 3.724962 0.000000\nAc Sb Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Sb\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Ac","Sb","Au"],"chemical_system":"Ac-Au-Sb","density":11.93061889621825,"density_atomic":0.038695855769046425,"volume":103.3702426397733,"volume_molar":15.562753789301718,"formula_full":"Ac1 Sb1 Au2","formula_reduced":"AcSbAu2","formula_anonymous":"ABC2","energy":-17.67597375,"energy_per_atom":-4.4189934375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.48397375,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000128,"is_theoretical":true,"updated_at":"2021-11-28T01:39:49.016000Z","spacegroup":225},{"id":"mp-805503","created_at":"2022-09-04T14:48:24.186830Z","structure_string":"Li3 Mn5 Cr3 O16\n1.0\n5.840652 0.000000 0.000000\n-2.917924 -5.139517 0.000000\n0.008709 3.337373 -9.634029\nLi Mn Cr O\n3 5 3 16\ndirect\n0.686742 0.237750 0.567968 Li\n0.187473 0.247704 0.060947 Li\n0.319193 0.761545 0.437023 Li\n0.500078 0.003197 0.998386 Mn\n0.750921 0.495988 0.752821 Mn\n0.249852 0.500907 0.249708 Mn\n0.252399 0.499137 0.752413 Mn\n0.751796 0.500789 0.248592 Mn\n0.249909 0.997082 0.753141 Cr\n0.000221 0.998701 0.501293 Cr\n0.753419 0.004200 0.248432 Cr\n0.609776 0.035128 0.871497 O\n0.168179 0.037902 0.871846 O\n0.616098 0.519837 0.354360 O\n0.113978 0.516089 0.856246 O\n0.344824 0.962171 0.635845 O\n0.396687 0.528560 0.131788 O\n0.885786 0.959256 0.636293 O\n0.896606 0.515122 0.638268 O\n0.105923 0.485241 0.363277 O\n0.602718 0.466539 0.868960 O\n0.116764 0.039563 0.365503 O\n0.891445 0.481344 0.148302 O\n0.655334 0.039073 0.364552 O\n0.387522 0.481743 0.646496 O\n0.840185 0.967304 0.129185 O\n0.390465 0.967717 0.130403 O\n","nsites":27,"nelements":4,"elements":["Li","Mn","Cr","O"],"chemical_system":"Cr-Li-Mn-O","density":4.0623655250936,"density_atomic":0.09336243654183897,"volume":289.1955373069163,"volume_molar":6.450282343800301,"formula_full":"Li3 Mn5 Cr3 O16","formula_reduced":"Li3Mn5Cr3O16","formula_anonymous":"A3B3C5D16","energy":-125.68295784,"energy_per_atom":-4.654924364444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.35395784,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0497831,"is_theoretical":true,"updated_at":"2021-11-28T01:39:48.980000Z","spacegroup":1},{"id":"mp-1210006","created_at":"2022-09-04T14:48:27.276193Z","structure_string":"Na2 Li2 Tm4 F16\n1.0\n4.133651 -5.213617 0.000000\n4.133651 5.213617 0.000000\n0.000000 0.000000 7.009049\nNa Li Tm F\n2 2 4 16\ndirect\n0.655918 0.655918 0.250000 Na\n0.344082 0.344082 0.750000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.075407 0.450146 0.250000 Tm\n0.924593 0.549854 0.750000 Tm\n0.450146 0.075407 0.250000 Tm\n0.549854 0.924593 0.750000 Tm\n0.087744 0.087744 0.250000 F\n0.912256 0.912256 0.750000 F\n0.934668 0.657594 0.050176 F\n0.065332 0.342406 0.949824 F\n0.657594 0.934668 0.449824 F\n0.342406 0.065332 0.550176 F\n0.388184 0.388184 0.250000 F\n0.611816 0.611816 0.750000 F\n0.746044 0.304538 0.250000 F\n0.253956 0.695462 0.750000 F\n0.304538 0.746044 0.250000 F\n0.695462 0.253956 0.750000 F\n0.065332 0.342406 0.550176 F\n0.934668 0.657594 0.449824 F\n0.342406 0.065332 0.949824 F\n0.657594 0.934668 0.050176 F\n","nsites":24,"nelements":4,"elements":["Na","Li","Tm","F"],"chemical_system":"F-Li-Na-Tm","density":5.714023143318838,"density_atomic":0.07944182618500978,"volume":302.10785870036636,"volume_molar":7.580566874149154,"formula_full":"Na2 Li2 Tm4 F16","formula_reduced":"NaLiTm2F8","formula_anonymous":"ABC2D8","energy":-152.00091923,"energy_per_atom":-6.333371634583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.60891923,"band_gap":7.552,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:39:48.954000Z","spacegroup":63},{"id":"mp-31739","created_at":"2022-09-04T14:48:27.947035Z","structure_string":"Li4 Cr2 P8 O26\n1.0\n5.058613 0.000000 0.000000\n1.113162 7.880498 0.000000\n0.597764 2.622448 13.057394\nLi Cr P O\n4 2 8 26\ndirect\n0.593799 0.695899 0.015801 Li\n0.072762 0.323921 0.518113 Li\n0.406201 0.304101 0.984199 Li\n0.927238 0.676079 0.481887 Li\n0.450195 0.048222 0.756857 Cr\n0.549805 0.951778 0.243143 Cr\n0.993562 0.894481 0.650176 P\n0.321159 0.657149 0.804157 P\n0.648115 0.426217 0.676778 P\n0.006438 0.105519 0.349824 P\n0.904248 0.198965 0.860648 P\n0.678841 0.342851 0.195843 P\n0.351885 0.573783 0.323222 P\n0.095752 0.801035 0.139352 P\n0.745483 0.056084 0.839160 O\n0.042192 0.737656 0.751166 O\n0.285192 0.510608 0.889400 O\n0.872591 0.356550 0.761502 O\n0.301062 0.030948 0.345119 O\n0.795173 0.866378 0.136059 O\n0.496817 0.598198 0.709059 O\n0.069662 0.821402 0.556850 O\n0.204827 0.133622 0.863941 O\n0.208911 0.738581 0.045840 O\n0.791089 0.261419 0.954160 O\n0.503183 0.401802 0.290941 O\n0.549589 0.196110 0.167800 O\n0.836207 0.964367 0.332259 O\n0.454279 0.294488 0.682622 O\n0.211997 0.520513 0.423599 O\n0.930338 0.178598 0.443150 O\n0.698938 0.969052 0.654881 O\n0.788003 0.479487 0.576401 O\n0.545721 0.705512 0.317378 O\n0.127409 0.643450 0.238498 O\n0.163793 0.035633 0.667741 O\n0.450411 0.803890 0.832200 O\n0.254517 0.943916 0.160840 O\n0.957808 0.262344 0.248834 O\n0.714808 0.489392 0.110600 O\n","nsites":40,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.5378410122517803,"density_atomic":0.07684548633714902,"volume":520.5250419589446,"volume_molar":7.836687679454177,"formula_full":"Li4 Cr2 P8 O26","formula_reduced":"Li2CrP4O13","formula_anonymous":"AB2C4D13","energy":-300.76118702,"energy_per_atom":-7.519029675500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-278.90118702,"band_gap":0.1271,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0001659,"is_theoretical":true,"updated_at":"2021-11-28T01:39:48.952000Z","spacegroup":2},{"id":"mp-1602","created_at":"2022-09-04T14:48:29.943350Z","structure_string":"Si2 S4\n1.0\n-2.792576 3.107134 5.463380\n2.792576 -3.107134 5.463380\n2.792576 3.107134 -5.463380\nSi S\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.708947 0.894547 0.814399 S\n0.291053 0.105453 0.185601 S\n0.919852 0.605453 0.314399 S\n0.080148 0.394547 0.685601 S\n","nsites":6,"nelements":2,"elements":["Si","S"],"chemical_system":"S-Si","density":1.6150896502851921,"density_atomic":0.0316420684724297,"volume":189.6209789580573,"volume_molar":19.032070438906985,"formula_full":"Si2 S4","formula_reduced":"SiS2","formula_anonymous":"AB2","energy":-33.46412016,"energy_per_atom":-5.57735336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.45212016,"band_gap":3.0953,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.1e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:39:48.919000Z","spacegroup":72},{"id":"mp-9900","created_at":"2022-09-04T14:48:24.526911Z","structure_string":"Ag4 Ge2 S6\n1.0\n3.532381 -5.992690 0.000000\n3.532381 5.992690 0.000000\n0.000000 0.000000 6.545330\nAg Ge S\n4 2 6\ndirect\n0.995920 0.309970 0.490117 Ag\n0.004080 0.690030 0.990117 Ag\n0.309970 0.995920 0.490117 Ag\n0.690030 0.004080 0.990117 Ag\n0.339234 0.339234 0.959468 Ge\n0.660766 0.660766 0.459468 Ge\n0.642665 0.642665 0.823628 S\n0.357335 0.357335 0.323628 S\n0.963532 0.651607 0.376836 S\n0.651607 0.963532 0.376836 S\n0.348393 0.036468 0.876836 S\n0.036468 0.348393 0.876836 S\n","nsites":12,"nelements":3,"elements":["Ag","Ge","S"],"chemical_system":"Ag-Ge-S","density":4.608983790376646,"density_atomic":0.04330423295512619,"volume":277.1091688065447,"volume_molar":13.90658683699678,"formula_full":"Ag4 Ge2 S6","formula_reduced":"Ag2GeS3","formula_anonymous":"AB2C3","energy":-51.04611977,"energy_per_atom":-4.253843314166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.02811977,"band_gap":0.4646000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003545,"is_theoretical":false,"updated_at":"2021-11-28T01:39:48.915000Z","spacegroup":36},{"id":"mp-1100999","created_at":"2022-09-04T14:48:30.068800Z","structure_string":"Tl2 Bi2 F8\n1.0\n-3.095692 3.095692 5.613739\n3.095692 -3.095692 5.613739\n3.095692 3.095692 -5.613739\nTl Bi F\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 Tl\n0.500000 0.500000 0.000000 Bi\n0.250000 0.750000 0.500000 Bi\n0.375000 0.424996 0.549996 F\n0.875000 0.825004 0.450004 F\n0.575004 0.125000 0.950004 F\n0.875000 0.424996 0.049996 F\n0.174996 0.625000 0.049996 F\n0.375000 0.825004 0.950004 F\n0.174996 0.125000 0.549996 F\n0.575004 0.625000 0.450004 F\n","nsites":12,"nelements":3,"elements":["Tl","Bi","F"],"chemical_system":"Bi-F-Tl","density":7.552269473289474,"density_atomic":0.05576395241475277,"volume":215.19278100569696,"volume_molar":10.799343481268012,"formula_full":"Tl2 Bi2 F8","formula_reduced":"TlBiF4","formula_anonymous":"ABC4","energy":-57.67489241,"energy_per_atom":-4.806241034166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.97889241,"band_gap":3.224,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.36e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:48.913000Z","spacegroup":141},{"id":"mp-1237561","created_at":"2022-09-04T14:48:30.829733Z","structure_string":"Y2 Tc4 Cl16 O18\n1.0\n11.856872 0.000000 0.000000\n0.000000 7.078114 0.000000\n0.000000 1.223038 11.484336\nY Tc Cl O\n2 4 16 18\ndirect\n0.153659 0.037984 0.802108 Y\n0.653659 0.962016 0.197892 Y\n0.992414 0.448039 0.223688 Tc\n0.492414 0.551961 0.776312 Tc\n0.958669 0.751509 0.225586 Tc\n0.458669 0.248491 0.774414 Tc\n0.066408 0.363070 0.404660 Cl\n0.896543 0.355538 0.067954 Cl\n0.566408 0.636930 0.595340 Cl\n0.396543 0.644462 0.932046 Cl\n0.338214 0.726428 0.661636 Cl\n0.662533 0.553845 0.865398 Cl\n0.162533 0.446155 0.134602 Cl\n0.838214 0.273572 0.338364 Cl\n0.808763 0.759643 0.356348 Cl\n0.104506 0.912006 0.107722 Cl\n0.308763 0.240357 0.643652 Cl\n0.604506 0.087994 0.892278 Cl\n0.326043 0.178285 0.927702 Cl\n0.582848 0.164874 0.637175 Cl\n0.082848 0.835126 0.362825 Cl\n0.826043 0.821715 0.072298 Cl\n0.833594 0.005669 0.659319 O\n0.231973 0.793517 0.734902 O\n0.333594 0.994331 0.340681 O\n0.731973 0.206483 0.265098 O\n0.077868 0.956167 0.970022 O\n0.911217 0.998740 0.588702 O\n0.411217 0.001260 0.411298 O\n0.577868 0.043833 0.029978 O\n0.997358 0.718044 0.764332 O\n0.012420 0.600980 0.850781 O\n0.497358 0.281956 0.235668 O\n0.512420 0.399020 0.149219 O\n0.052390 0.253860 0.713231 O\n0.942065 0.352610 0.738561 O\n0.442065 0.647390 0.261439 O\n0.552390 0.746140 0.286769 O\n0.915513 0.479346 0.658835 O\n0.415513 0.520654 0.341165 O\n","nsites":40,"nelements":4,"elements":["Y","Tc","Cl","O"],"chemical_system":"Cl-O-Tc-Y","density":2.455191036262184,"density_atomic":0.0415017506225104,"volume":963.8147644380125,"volume_molar":14.510570445029883,"formula_full":"Y2 Tc4 Cl16 O18","formula_reduced":"YTc2Cl8O9","formula_anonymous":"AB2C8D9","energy":-198.18363752,"energy_per_atom":-4.954590938,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.28563752,"band_gap":0.5388000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0010356,"is_theoretical":true,"updated_at":"2021-11-28T01:39:48.878000Z","spacegroup":4},{"id":"mp-1214928","created_at":"2022-09-04T14:48:28.956186Z","structure_string":"Al8 P8 N4 O32\n1.0\n6.623014 6.633708 0.000000\n-6.623014 6.633708 0.000000\n0.000000 1.616551 8.670300\nAl P N O\n8 8 4 32\ndirect\n0.549234 0.287777 0.555422 Al\n0.450766 0.712223 0.444578 Al\n0.712223 0.450766 0.944578 Al\n0.287777 0.549234 0.055422 Al\n0.804499 0.924209 0.892483 Al\n0.195501 0.075791 0.107517 Al\n0.075791 0.195501 0.607517 Al\n0.924209 0.804499 0.392483 Al\n0.419811 0.298057 0.909971 P\n0.580189 0.701943 0.090029 P\n0.701943 0.580189 0.590029 P\n0.298057 0.419811 0.409971 P\n0.793218 0.058361 0.542036 P\n0.206782 0.941639 0.457964 P\n0.941639 0.206782 0.957964 P\n0.058361 0.793218 0.042036 P\n0.429544 0.926370 0.774976 N\n0.570456 0.073630 0.225024 N\n0.073630 0.570456 0.725024 N\n0.926370 0.429544 0.274976 N\n0.560752 0.334965 0.969918 O\n0.439248 0.665035 0.030082 O\n0.665035 0.439248 0.530082 O\n0.334965 0.560752 0.469918 O\n0.782802 0.958511 0.696781 O\n0.217198 0.041489 0.303219 O\n0.041489 0.217198 0.803219 O\n0.958511 0.782802 0.196781 O\n0.648906 0.837372 0.992574 O\n0.351094 0.162628 0.007426 O\n0.162628 0.351094 0.507426 O\n0.837372 0.648906 0.492574 O\n0.174145 0.035732 0.589097 O\n0.825855 0.964268 0.410903 O\n0.964268 0.825855 0.910903 O\n0.035732 0.174145 0.089097 O\n0.575545 0.685733 0.578248 O\n0.424455 0.314267 0.421752 O\n0.314267 0.424455 0.921752 O\n0.685733 0.575545 0.078248 O\n0.826376 0.088047 0.965281 O\n0.173624 0.911953 0.034719 O\n0.911953 0.173624 0.534719 O\n0.088047 0.826376 0.465281 O\n0.451462 0.270171 0.741108 O\n0.548538 0.729829 0.258892 O\n0.729829 0.548538 0.758892 O\n0.270171 0.451462 0.241108 O\n0.349429 0.864676 0.475514 O\n0.650571 0.135324 0.524486 O\n0.135324 0.650571 0.024486 O\n0.864676 0.349429 0.975514 O\n","nsites":52,"nelements":4,"elements":["Al","P","N","O"],"chemical_system":"Al-N-O-P","density":2.2485644365648403,"density_atomic":0.06825385715147346,"volume":761.8617052600877,"volume_molar":8.823150824480539,"formula_full":"Al8 P8 N4 O32","formula_reduced":"Al2P2NO8","formula_anonymous":"AB2C2D8","energy":-392.56341306,"energy_per_atom":-7.549296405000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-370.57941306,"band_gap":3.667,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0029639,"is_theoretical":true,"updated_at":"2021-11-28T01:39:48.866000Z","spacegroup":15}]}