{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=10175","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=10173","results":[{"id":"mp-1219824","created_at":"2022-09-04T14:47:00.810760Z","structure_string":"Rb2 V6 Cd1 Cu9 O26\n1.0\n0.000000 6.251667 0.000000\n-0.006713 0.000000 8.378698\n10.896304 0.000000 -1.458304\nRb V Cd Cu O\n2 6 1 9 26\ndirect\n0.250000 0.989345 0.607761 Rb\n0.750000 0.016581 0.396421 Rb\n0.250000 0.035576 0.203979 V\n0.750000 0.971027 0.791002 V\n0.250000 0.321009 0.881843 V\n0.750000 0.678273 0.117477 V\n0.250000 0.370380 0.502998 V\n0.750000 0.622451 0.501956 V\n0.250000 0.695149 0.360190 Cd\n0.250000 0.894838 0.895391 Cu\n0.750000 0.103647 0.102426 Cu\n0.250000 0.643484 0.058228 Cu\n0.750000 0.355258 0.937480 Cu\n0.504269 0.392819 0.225668 Cu\n0.999476 0.604185 0.773518 Cu\n0.500524 0.604185 0.773518 Cu\n0.995731 0.392819 0.225668 Cu\n0.750000 0.301652 0.635486 Cu\n0.250000 0.656764 0.876672 O\n0.750000 0.342851 0.117237 O\n0.250000 0.411872 0.033803 O\n0.750000 0.587367 0.965112 O\n0.250000 0.535952 0.610377 O\n0.750000 0.467744 0.385271 O\n0.250000 0.423326 0.335898 O\n0.750000 0.543566 0.662875 O\n0.480203 0.158348 0.208567 O\n0.975298 0.841457 0.785592 O\n0.524702 0.841457 0.785592 O\n0.019797 0.158348 0.208567 O\n0.490829 0.378283 0.808954 O\n0.990714 0.623021 0.192109 O\n0.509286 0.623021 0.192109 O\n0.009171 0.378283 0.808954 O\n0.250000 0.951446 0.336576 O\n0.750000 0.076613 0.667288 O\n0.250000 0.879536 0.077505 O\n0.750000 0.119790 0.921747 O\n0.250000 0.117461 0.882707 O\n0.750000 0.881075 0.116410 O\n0.476041 0.262224 0.529265 O\n0.966687 0.742646 0.485267 O\n0.533313 0.742646 0.485267 O\n0.023959 0.262224 0.529265 O\n","nsites":44,"nelements":5,"elements":["Rb","V","Cd","Cu","O"],"chemical_system":"Cd-Cu-O-Rb-V","density":4.588244830765432,"density_atomic":0.07709880776751402,"volume":570.6962438729128,"volume_molar":7.81093889046811,"formula_full":"Rb2 V6 Cd1 Cu9 O26","formula_reduced":"Rb2V6CdCu9O26","formula_anonymous":"AB2C6D9E26","energy":-297.8301933,"energy_per_atom":-6.768868029545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-269.7681933,"band_gap":0.0612000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0018313,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.268000Z","spacegroup":6},{"id":"mp-673310","created_at":"2022-09-04T14:47:01.285008Z","structure_string":"Y2 H6 O6\n1.0\n3.484431 0.000000 0.000000\n0.000000 6.366912 0.000000\n0.000000 3.065955 5.689206\nY H O\n2 6 6\ndirect\n0.500000 0.340653 0.322514 Y\n0.000000 0.651569 0.671587 Y\n0.500000 0.846603 0.861284 H\n0.500000 0.261562 0.865506 H\n0.500000 0.854195 0.305643 H\n0.000000 0.131179 0.140328 H\n0.000000 0.729699 0.129259 H\n0.000000 0.139152 0.691559 H\n0.500000 0.899656 0.693053 O\n0.500000 0.385334 0.913103 O\n0.500000 0.681856 0.405079 O\n0.000000 0.088539 0.306119 O\n0.000000 0.605419 0.082329 O\n0.000000 0.310928 0.588982 O\n","nsites":14,"nelements":3,"elements":["Y","H","O"],"chemical_system":"H-O-Y","density":3.6818911143216853,"density_atomic":0.11092148113717902,"volume":126.21540802079531,"volume_molar":5.429192522729017,"formula_full":"Y2 H6 O6","formula_reduced":"Y(HO)3","formula_anonymous":"AB3C3","energy":-94.11567186,"energy_per_atom":-6.722547990000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.99367186,"band_gap":3.8629,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001043,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.029000Z","spacegroup":6},{"id":"mp-777542","created_at":"2022-09-04T14:47:01.342489Z","structure_string":"Fe10 O6 F14\n1.0\n15.624872 0.000000 0.000000\n0.000000 4.821853 0.000000\n0.000000 0.125822 4.820731\nFe O F\n10 6 14\ndirect\n0.398466 0.020909 0.980057 Fe\n0.601534 0.020909 0.980057 Fe\n0.807188 0.959446 0.019702 Fe\n0.000000 0.979115 0.971212 Fe\n0.192812 0.959446 0.019702 Fe\n0.500000 0.476922 0.523518 Fe\n0.894815 0.525749 0.508067 Fe\n0.699434 0.496674 0.495555 Fe\n0.105185 0.525749 0.508067 Fe\n0.300566 0.496674 0.495555 Fe\n0.900263 0.816218 0.817339 O\n0.099737 0.816218 0.817339 O\n0.791007 0.688894 0.309750 O\n0.208993 0.688894 0.309750 O\n0.397794 0.322640 0.675522 O\n0.602206 0.322640 0.675522 O\n0.500000 0.803820 0.786720 F\n0.703727 0.798384 0.801631 F\n0.296273 0.798384 0.801631 F\n0.402336 0.701834 0.296981 F\n0.597664 0.701834 0.296981 F\n0.000000 0.712871 0.296487 F\n0.791949 0.286171 0.715812 F\n0.000000 0.309651 0.695714 F\n0.208051 0.286171 0.715812 F\n0.500000 0.214051 0.196173 F\n0.901864 0.190757 0.196229 F\n0.705178 0.194108 0.198442 F\n0.294822 0.194108 0.198442 F\n0.098136 0.190757 0.196229 F\n","nsites":30,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.208174304543202,"density_atomic":0.08259959577274614,"volume":363.1979033231364,"volume_molar":7.290762991829331,"formula_full":"Fe10 O6 F14","formula_reduced":"Fe5O3F7","formula_anonymous":"A3B5C7","energy":-207.99362168,"energy_per_atom":-6.933120722666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.84362168,"band_gap":0.8976999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":45.9995789,"is_theoretical":true,"updated_at":"2021-11-28T01:37:53.557000Z","spacegroup":6},{"id":"mp-1227897","created_at":"2022-09-04T14:47:02.559206Z","structure_string":"Ca8 Al11 Fe1 Si12 O52\n1.0\n5.669402 0.000000 0.000000\n0.000000 8.936672 0.000000\n0.000000 0.216076 18.626104\nCa Al Fe Si O\n8 11 1 12 52\ndirect\n0.500000 0.886711 0.289259 Ca\n0.500000 0.387801 0.790541 Ca\n0.000000 0.613252 0.210167 Ca\n0.000000 0.110909 0.710352 Ca\n0.500000 0.186411 0.424465 Ca\n0.500000 0.687059 0.924018 Ca\n0.000000 0.313319 0.076107 Ca\n0.000000 0.810512 0.578072 Ca\n0.750004 0.000111 0.999984 Al\n0.749432 0.496906 0.501006 Al\n0.249996 0.000111 0.999984 Al\n0.250568 0.496906 0.501006 Al\n0.749196 0.251194 0.249267 Al\n0.750028 0.750331 0.750538 Al\n0.250804 0.251194 0.249267 Al\n0.249972 0.750331 0.750538 Al\n0.000000 0.171018 0.883933 Al\n0.500000 0.829497 0.116017 Al\n0.500000 0.327842 0.617026 Al\n0.000000 0.675564 0.386752 Fe\n0.500000 0.814353 0.476785 Si\n0.500000 0.314507 0.976188 Si\n0.000000 0.685669 0.023526 Si\n0.000000 0.183349 0.524069 Si\n0.500000 0.524931 0.340493 Si\n0.500000 0.026531 0.842002 Si\n0.000000 0.973732 0.158086 Si\n0.000000 0.472972 0.659030 Si\n0.000000 0.048182 0.363583 Si\n0.000000 0.540180 0.864510 Si\n0.500000 0.460069 0.134937 Si\n0.500000 0.959265 0.635786 Si\n0.000000 0.873209 0.345570 O\n0.000000 0.363181 0.852501 O\n0.500000 0.637317 0.146593 O\n0.500000 0.135930 0.648463 O\n0.000000 0.486916 0.438113 O\n0.000000 0.996855 0.935772 O\n0.500000 0.003423 0.063987 O\n0.500000 0.501371 0.564547 O\n0.743549 0.711609 0.480859 O\n0.744407 0.213185 0.979186 O\n0.244115 0.787073 0.020188 O\n0.245196 0.284252 0.521738 O\n0.755885 0.787073 0.020188 O\n0.754804 0.284252 0.521738 O\n0.256451 0.711609 0.480859 O\n0.255593 0.213185 0.979186 O\n0.764049 0.129718 0.330785 O\n0.765263 0.621650 0.829693 O\n0.265680 0.378186 0.169547 O\n0.265973 0.877257 0.670571 O\n0.734320 0.378186 0.169547 O\n0.734027 0.877257 0.670571 O\n0.235951 0.129718 0.330785 O\n0.234737 0.621650 0.829693 O\n0.500000 0.366108 0.296739 O\n0.500000 0.866000 0.798440 O\n0.000000 0.133495 0.202151 O\n0.000000 0.634216 0.702019 O\n0.500000 0.927316 0.409944 O\n0.500000 0.429640 0.910122 O\n0.000000 0.570747 0.089580 O\n0.000000 0.068025 0.590106 O\n0.500000 0.469699 0.427094 O\n0.500000 0.969560 0.927866 O\n0.000000 0.030917 0.072087 O\n0.000000 0.529131 0.572985 O\n0.000000 0.080141 0.450301 O\n0.000000 0.581878 0.950108 O\n0.500000 0.418562 0.049355 O\n0.500000 0.918796 0.549820 O\n0.000000 0.369434 0.277743 O\n0.000000 0.868526 0.779315 O\n0.500000 0.130581 0.221370 O\n0.500000 0.632234 0.721185 O\n0.729177 0.630690 0.320200 O\n0.734468 0.130262 0.823805 O\n0.234650 0.869806 0.175754 O\n0.234650 0.369347 0.677089 O\n0.765350 0.869806 0.175754 O\n0.765350 0.369347 0.677089 O\n0.270823 0.630690 0.320200 O\n0.265532 0.130262 0.823805 O\n","nsites":84,"nelements":5,"elements":["Ca","Al","Fe","Si","O"],"chemical_system":"Al-Ca-Fe-O-Si","density":3.241642341213284,"density_atomic":0.08901110479903256,"volume":943.7024761084976,"volume_molar":6.765606127007036,"formula_full":"Ca8 Al11 Fe1 Si12 O52","formula_reduced":"Ca8Al11Fe(Si3O13)4","formula_anonymous":"AB8C11D12E52","energy":-660.0493960800001,"energy_per_atom":-7.857730905714287,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-622.06939608,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.8923771,"is_theoretical":true,"updated_at":"2021-11-28T01:37:53.021000Z","spacegroup":6},{"id":"mp-1226364","created_at":"2022-09-04T14:47:02.428994Z","structure_string":"Cr2 Cu1 Ag1 S4\n1.0\n-1.769497 -3.064860 0.000000\n-1.775651 1.025172 6.452840\n-5.318348 3.070550 0.003141\nCr Cu Ag S\n2 1 1 4\ndirect\n0.000000 0.993671 0.003464 Cr\n0.500000 0.998282 0.498305 Cr\n0.500000 0.441342 0.353233 Cu\n0.000000 0.450470 0.849256 Ag\n0.500000 0.793906 0.235762 S\n0.000000 0.817941 0.726678 S\n0.500000 0.203550 0.757573 S\n0.000000 0.218838 0.269729 S\n","nsites":8,"nelements":4,"elements":["Cr","Cu","Ag","S"],"chemical_system":"Ag-Cr-Cu-S","density":4.780411606556005,"density_atomic":0.05705366925831158,"volume":140.2188518985492,"volume_molar":10.555220791733205,"formula_full":"Cr2 Cu1 Ag1 S4","formula_reduced":"Cr2CuAgS4","formula_anonymous":"ABC2D4","energy":-48.532998,"energy_per_atom":-6.06662475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.520998,"band_gap":0.7458,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000226,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.355000Z","spacegroup":6},{"id":"mp-1100612","created_at":"2022-09-04T14:47:02.447322Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n2.912856 0.000000 0.000000\n0.000000 9.764142 0.000000\n0.000000 1.844539 10.128157\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.987856 0.245760 Li\n0.500000 0.997386 0.754511 Li\n0.000000 0.749505 0.363084 Li\n0.000000 0.741650 0.886775 Li\n0.500000 0.508091 0.495242 Li\n0.500000 0.504762 0.999157 Li\n0.000000 0.254930 0.126030 Li\n0.000000 0.250838 0.626670 Li\n0.500000 0.752227 0.127461 Li\n0.000000 0.992141 0.007614 Mn\n0.500000 0.253023 0.375835 Mn\n0.000000 0.995874 0.502314 Co\n0.500000 0.750954 0.623512 Co\n0.000000 0.520060 0.232693 Co\n0.000000 0.500239 0.749769 Co\n0.500000 0.249411 0.874500 Co\n0.500000 0.113357 0.053782 O\n0.500000 0.124566 0.549382 O\n0.000000 0.887081 0.173184 O\n0.000000 0.873630 0.680850 O\n0.500000 0.614756 0.310074 O\n0.500000 0.618476 0.804562 O\n0.000000 0.364463 0.930910 O\n0.000000 0.359828 0.431688 O\n0.500000 0.883405 0.441911 O\n0.500000 0.889967 0.944677 O\n0.000000 0.630836 0.569736 O\n0.000000 0.614385 0.067883 O\n0.500000 0.379518 0.694910 O\n0.500000 0.370703 0.206549 O\n0.000000 0.139527 0.322733 O\n0.000000 0.126556 0.826240 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.167779630597911,"density_atomic":0.11108782182418436,"volume":288.06037848726135,"volume_molar":5.421062958216137,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.26019451,"energy_per_atom":-6.5081310784375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.74219451,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0752348,"is_theoretical":true,"updated_at":"2021-11-28T01:37:54.241000Z","spacegroup":6},{"id":"mp-778723","created_at":"2022-09-04T14:47:02.778123Z","structure_string":"Li6 Mn2 Fe4 B6 O18\n1.0\n3.151727 0.000000 0.000000\n0.000000 8.254209 0.000000\n0.000000 0.015980 14.307231\nLi Mn Fe B O\n6 2 4 6 18\ndirect\n0.500000 0.707187 0.009049 Li\n0.500000 0.660985 0.641117 Li\n0.500000 0.634225 0.349470 Li\n0.500000 0.206551 0.507311 Li\n0.500000 0.157867 0.143083 Li\n0.500000 0.132287 0.848853 Li\n0.000000 0.366799 0.994351 Mn\n0.000000 0.325627 0.685686 Mn\n0.000000 0.863367 0.495503 Fe\n0.000000 0.824141 0.184470 Fe\n0.000000 0.813097 0.820707 Fe\n0.000000 0.312405 0.320301 Fe\n0.500000 0.999989 0.333303 B\n0.000000 0.998596 0.001046 B\n0.500000 0.997752 0.666675 B\n0.500000 0.502378 0.832645 B\n0.000000 0.499605 0.498772 B\n0.500000 0.501017 0.167716 B\n0.500000 0.986477 0.569641 O\n0.500000 0.981484 0.236576 O\n0.500000 0.863799 0.391184 O\n0.500000 0.858220 0.721474 O\n0.000000 0.846053 0.042536 O\n0.500000 0.655138 0.873761 O\n0.500000 0.652341 0.210422 O\n0.000000 0.638530 0.554152 O\n0.000000 0.513929 0.401873 O\n0.500000 0.490140 0.070807 O\n0.500000 0.487354 0.735757 O\n0.500000 0.363140 0.888013 O\n0.500000 0.360503 0.221563 O\n0.000000 0.346681 0.539817 O\n0.500000 0.154582 0.372442 O\n0.500000 0.148581 0.709439 O\n0.000000 0.136715 0.056670 O\n0.000000 0.012462 0.903812 O\n","nsites":36,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.2468036038934387,"density_atomic":0.09672146325888795,"volume":372.2028057375557,"volume_molar":6.226271353940266,"formula_full":"Li6 Mn2 Fe4 B6 O18","formula_reduced":"Li3MnFe2(BO3)3","formula_anonymous":"AB2C3D3E9","energy":-278.97184614,"energy_per_atom":-7.749217948333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-254.24584614,"band_gap":2.7703,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":26.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.298000Z","spacegroup":6},{"id":"mp-1223134","created_at":"2022-09-04T14:47:03.090380Z","structure_string":"La3 Y1 Sc4 O12\n1.0\n8.135447 0.000000 0.000000\n0.000000 5.670495 0.000000\n0.000000 0.025871 5.832843\nLa Y Sc O\n3 1 4 12\ndirect\n0.000000 0.988086 0.046081 La\n0.500000 0.488098 0.454184 La\n0.500000 0.013406 0.952641 La\n0.000000 0.513336 0.553151 Y\n0.247489 0.498937 0.999555 Sc\n0.753075 0.000635 0.500373 Sc\n0.752511 0.498937 0.999555 Sc\n0.246925 0.000635 0.500373 Sc\n0.000000 0.399546 0.948643 O\n0.000000 0.124177 0.464747 O\n0.500000 0.602396 0.036239 O\n0.500000 0.899724 0.534590 O\n0.303663 0.198763 0.200304 O\n0.697308 0.298372 0.702304 O\n0.807375 0.795466 0.795346 O\n0.186963 0.693442 0.306980 O\n0.192625 0.795466 0.795346 O\n0.813037 0.693442 0.306980 O\n0.696337 0.198763 0.200304 O\n0.302692 0.298372 0.702304 O\n","nsites":20,"nelements":4,"elements":["La","Y","Sc","O"],"chemical_system":"La-O-Sc-Y","density":5.414809820755154,"density_atomic":0.07432712198169128,"volume":269.08078056522254,"volume_molar":8.102211681872213,"formula_full":"La3 Y1 Sc4 O12","formula_reduced":"La3YSc4O12","formula_anonymous":"AB3C4D12","energy":-184.78667329,"energy_per_atom":-9.2393336645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.54267328999998,"band_gap":3.950799999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.57e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.840000Z","spacegroup":6},{"id":"mp-760077","created_at":"2022-09-04T14:44:27.062990Z","structure_string":"Mn4 Fe4 Co4 P12 O48\n1.0\n5.974613 0.000000 0.000000\n0.000000 9.871034 0.000000\n0.000000 0.012724 14.614982\nMn Fe Co P O\n4 4 4 12 48\ndirect\n0.500000 0.783294 0.812794 Mn\n0.500000 0.779260 0.148053 Mn\n0.000000 0.717289 0.313936 Mn\n0.500000 0.282573 0.020051 Mn\n0.500000 0.776838 0.487818 Fe\n0.000000 0.725508 0.654956 Fe\n0.000000 0.722887 0.987177 Fe\n0.500000 0.274460 0.344834 Fe\n0.500000 0.267197 0.674388 Co\n0.000000 0.227239 0.510860 Co\n0.000000 0.224734 0.178653 Co\n0.000000 0.222527 0.847306 Co\n0.000000 0.902221 0.139556 P\n0.000000 0.905622 0.805289 P\n0.000000 0.903258 0.472365 P\n0.500000 0.600029 0.973485 P\n0.500000 0.596849 0.640534 P\n0.500000 0.598345 0.305648 P\n0.000000 0.402096 0.028020 P\n0.000000 0.397658 0.696860 P\n0.000000 0.402550 0.359807 P\n0.500000 0.098017 0.528917 P\n0.500000 0.097527 0.192710 P\n0.500000 0.099664 0.858979 P\n0.500000 0.945563 0.215120 O\n0.500000 0.947208 0.882796 O\n0.500000 0.947363 0.553239 O\n0.000000 0.882670 0.243344 O\n0.000000 0.881708 0.576146 O\n0.000000 0.882743 0.908331 O\n0.204478 0.832220 0.425771 O\n0.795522 0.832220 0.425771 O\n0.198413 0.828263 0.089502 O\n0.801587 0.828263 0.089502 O\n0.198135 0.827568 0.756020 O\n0.801865 0.827568 0.756020 O\n0.700548 0.670963 0.592057 O\n0.299452 0.670963 0.592057 O\n0.704273 0.671116 0.927019 O\n0.295727 0.671116 0.927019 O\n0.701218 0.671964 0.257423 O\n0.298782 0.671964 0.257423 O\n0.500000 0.618972 0.409348 O\n0.500000 0.616506 0.078670 O\n0.500000 0.618287 0.744920 O\n0.000000 0.552184 0.053502 O\n0.000000 0.550454 0.715155 O\n0.000000 0.554154 0.385101 O\n0.500000 0.447062 0.952240 O\n0.500000 0.443834 0.621232 O\n0.500000 0.446970 0.282268 O\n0.000000 0.382951 0.255149 O\n0.000000 0.383121 0.924506 O\n0.000000 0.374783 0.591487 O\n0.199057 0.326576 0.078158 O\n0.800943 0.326576 0.078158 O\n0.202754 0.329334 0.407641 O\n0.797246 0.329334 0.407641 O\n0.201271 0.326592 0.745507 O\n0.798729 0.326592 0.745507 O\n0.700967 0.170148 0.241831 O\n0.299033 0.170148 0.241831 O\n0.700867 0.172784 0.577539 O\n0.299133 0.172784 0.577539 O\n0.705749 0.170522 0.905410 O\n0.294251 0.170522 0.905410 O\n0.500000 0.118285 0.754250 O\n0.500000 0.118558 0.425224 O\n0.500000 0.115836 0.087886 O\n0.000000 0.057974 0.451881 O\n0.000000 0.055000 0.118429 O\n0.000000 0.054614 0.777928 O\n","nsites":72,"nelements":5,"elements":["Mn","Fe","Co","P","O"],"chemical_system":"Co-Fe-Mn-O-P","density":3.5034568952616683,"density_atomic":0.08353371270457009,"volume":861.9274502336457,"volume_molar":7.209233930854041,"formula_full":"Mn4 Fe4 Co4 P12 O48","formula_reduced":"MnFeCo(PO4)3","formula_anonymous":"ABCD3E12","energy":-563.87687835,"energy_per_atom":-7.831623310416666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-508.65287835,"band_gap":0.5024,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":49.9976421,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.709000Z","spacegroup":6},{"id":"mp-1100613","created_at":"2022-09-04T14:44:27.090210Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.787414 0.000000 0.000000\n0.000000 5.853392 0.000000\n0.000000 0.043511 8.448498\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.748187 0.747202 Li\n0.500000 0.250091 0.258549 Li\n0.755866 0.005578 0.507552 Li\n0.753929 0.497649 0.990545 Li\n0.000000 0.254381 0.253319 Li\n0.000000 0.748889 0.742649 Li\n0.246071 0.497649 0.990545 Li\n0.244134 0.005578 0.507552 Li\n0.000000 0.250409 0.747990 Li\n0.248038 0.002712 0.997073 Mn\n0.751962 0.002712 0.997073 Mn\n0.244921 0.492013 0.507682 Co\n0.500000 0.253376 0.750205 Co\n0.500000 0.742778 0.258926 Co\n0.755079 0.492013 0.507682 Co\n0.000000 0.748202 0.253552 Co\n0.500000 0.774257 0.008733 O\n0.500000 0.256332 0.493768 O\n0.733116 0.017736 0.772412 O\n0.761275 0.521900 0.251322 O\n0.000000 0.265775 0.498966 O\n0.000000 0.778054 0.986775 O\n0.238725 0.521900 0.251322 O\n0.266884 0.017736 0.772412 O\n0.500000 0.738997 0.485278 O\n0.500000 0.223702 0.014409 O\n0.761072 0.977115 0.229952 O\n0.732274 0.483949 0.740911 O\n0.000000 0.223365 0.002342 O\n0.000000 0.745901 0.502438 O\n0.267726 0.483949 0.740911 O\n0.238928 0.977115 0.229952 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.194851671769492,"density_atomic":0.11180939886343252,"volume":286.2013419738156,"volume_molar":5.386077397085043,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.63184651,"energy_per_atom":-6.5197452034375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.11384651,"band_gap":0.8788,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000109,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.241000Z","spacegroup":6},{"id":"mp-1228856","created_at":"2022-09-04T14:44:27.460941Z","structure_string":"Al3 P3 Pd12\n1.0\n3.464379 0.000000 0.000000\n0.000000 6.660860 0.000000\n0.000000 0.020809 11.520404\nAl P Pd\n3 3 12\ndirect\n0.000000 0.502180 0.166434 Al\n0.000000 0.498364 0.834323 Al\n0.000000 0.001416 0.332135 Al\n0.500000 0.001639 0.000578 P\n0.500000 0.497242 0.499844 P\n0.000000 0.997013 0.667079 P\n0.000000 0.743857 0.998558 Pd\n0.000000 0.236259 0.505676 Pd\n0.000000 0.636590 0.630539 Pd\n0.000000 0.130477 0.127197 Pd\n0.000000 0.123698 0.863824 Pd\n0.000000 0.630139 0.373418 Pd\n0.500000 0.899110 0.505151 Pd\n0.500000 0.391716 0.998522 Pd\n0.500000 0.807199 0.798338 Pd\n0.500000 0.302990 0.304510 Pd\n0.500000 0.298144 0.694913 Pd\n0.500000 0.802166 0.198962 Pd\n","nsites":18,"nelements":3,"elements":["Al","P","Pd"],"chemical_system":"Al-P-Pd","density":9.062852930887365,"density_atomic":0.0677094198725367,"volume":265.8418877888052,"volume_molar":8.894095934268389,"formula_full":"Al3 P3 Pd12","formula_reduced":"AlPPd4","formula_anonymous":"ABC4","energy":-101.55583588,"energy_per_atom":-5.641990882222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.55583588,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.14e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.431000Z","spacegroup":6},{"id":"mp-675734","created_at":"2022-09-04T14:44:27.555652Z","structure_string":"Li7 B18 O1\n1.0\n4.123178 0.000000 0.000000\n0.000000 8.171452 0.000000\n0.000000 4.076455 7.087640\nLi B O\n7 18 1\ndirect\n0.000000 0.286603 0.892682 Li\n0.000000 0.681933 0.663644 Li\n0.500000 0.013939 0.990448 Li\n0.000000 0.992586 0.236202 Li\n0.000000 0.329773 0.323430 Li\n0.000000 0.738686 0.109692 Li\n0.000000 0.073715 0.735982 Li\n0.801111 0.499132 0.500428 B\n0.500000 0.672941 0.448644 B\n0.500000 0.877832 0.449730 B\n0.500000 0.450352 0.672088 B\n0.796932 0.000966 0.499845 B\n0.500000 0.453331 0.876603 B\n0.500000 0.879208 0.672544 B\n0.500000 0.675883 0.877851 B\n0.202244 0.503083 0.998947 B\n0.797756 0.503083 0.998947 B\n0.500000 0.328250 0.120334 B\n0.500000 0.123420 0.326173 B\n0.500000 0.551079 0.122204 B\n0.203068 0.000966 0.499845 B\n0.500000 0.549752 0.327950 B\n0.500000 0.123635 0.548019 B\n0.500000 0.327386 0.550635 B\n0.198889 0.499132 0.500428 B\n0.000000 0.015282 0.994705 O\n","nsites":26,"nelements":3,"elements":["Li","B","O"],"chemical_system":"B-Li-O","density":1.8022913046235844,"density_atomic":0.10887806141059007,"volume":238.79925545286295,"volume_molar":5.531087422001301,"formula_full":"Li7 B18 O1","formula_reduced":"Li7B18O","formula_anonymous":"AB7C18","energy":-149.26428761000005,"energy_per_atom":-5.740934138846156,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.57728761,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013375,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.760000Z","spacegroup":6}]}