{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=12166","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=12164","results":[{"id":"mp-18991","created_at":"2022-09-04T14:39:27.593787Z","structure_string":"Ba2 Ni8 O16\n1.0\n-3.131856 4.804709 0.000228\n-2.120247 -4.804402 2.304507\n2.181408 4.844942 12.109166\nBa Ni O\n2 8 16\ndirect\n0.500151 0.750078 0.749765 Ba\n0.499849 0.249922 0.250234 Ba\n0.500001 0.000001 0.499999 Ni\n0.499998 0.500000 0.999999 Ni\n0.499999 0.499997 0.499999 Ni\n0.500000 0.999999 0.999998 Ni\n0.000002 0.000001 0.499999 Ni\n0.000001 0.500002 0.999998 Ni\n0.000000 0.500000 0.500000 Ni\n0.000001 0.000001 0.000000 Ni\n0.717032 0.858515 0.424435 O\n0.716758 0.358374 0.924638 O\n0.283243 0.641626 0.075364 O\n0.282968 0.141485 0.575566 O\n0.228768 0.849112 0.922240 O\n0.228873 0.349042 0.422096 O\n0.771129 0.120167 0.577902 O\n0.771240 0.620353 0.077765 O\n0.771128 0.650959 0.577905 O\n0.771232 0.150887 0.077761 O\n0.301918 0.650957 0.577907 O\n0.301902 0.150943 0.077759 O\n0.228759 0.379647 0.922235 O\n0.228872 0.879832 0.422098 O\n0.698097 0.849056 0.922242 O\n0.698082 0.349042 0.422094 O\n","nsites":26,"nelements":3,"elements":["Ba","Ni","O"],"chemical_system":"Ba-Ni-O","density":4.554255046519359,"density_atomic":0.07129488878635906,"volume":364.68252412751656,"volume_molar":8.446805742338467,"formula_full":"Ba2 Ni8 O16","formula_reduced":"Ba(NiO2)4","formula_anonymous":"AB4C8","energy":-161.39903908,"energy_per_atom":-6.207655349230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.07903908,"band_gap":0.3230999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0001331,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.358000Z","spacegroup":166},{"id":"mp-1190485","created_at":"2022-09-04T14:39:24.751522Z","structure_string":"Ca2 S2 O12\n1.0\n0.004806 0.000000 -9.615733\n-4.593961 -8.252080 1.045373\n-4.593961 8.252080 1.045373\nCa S O\n2 2 12\ndirect\n0.500000 0.756934 0.243066 Ca\n0.500000 0.243066 0.756934 Ca\n0.000000 0.747289 0.252711 S\n0.000000 0.252711 0.747289 S\n0.464669 0.029629 0.459198 O\n0.464669 0.459198 0.029629 O\n0.535331 0.970371 0.540802 O\n0.535331 0.540802 0.970371 O\n0.048842 0.836701 0.431723 O\n0.048842 0.431723 0.836701 O\n0.951158 0.163299 0.568277 O\n0.951158 0.568277 0.163299 O\n0.500000 0.888057 0.111943 O\n0.500000 0.111943 0.888057 O\n0.500000 0.627061 0.372939 O\n0.500000 0.372939 0.627061 O\n","nsites":16,"nelements":3,"elements":["Ca","S","O"],"chemical_system":"Ca-O-S","density":0.7660107381386668,"density_atomic":0.021948571199072744,"volume":728.9768365731227,"volume_molar":27.43750700389288,"formula_full":"Ca2 S2 O12","formula_reduced":"CaSO6","formula_anonymous":"ABC6","energy":-80.73553819,"energy_per_atom":-5.045971136875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.80353819,"band_gap":0.1627,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0002804,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.945000Z","spacegroup":12},{"id":"mp-1177650","created_at":"2022-09-04T14:39:24.436162Z","structure_string":"Li12 Co6 Ni15 O36\n1.0\n5.060863 0.000000 0.000000\n0.897949 9.680958 0.000000\n2.258267 2.038214 12.814203\nLi Co Ni O\n12 6 15 36\ndirect\n0.777057 0.997479 0.944059 Li\n0.811853 0.754842 0.641393 Li\n0.729926 0.504493 0.554955 Li\n0.603377 0.500950 0.778628 Li\n0.441735 0.998382 0.613451 Li\n0.466352 0.759031 0.308766 Li\n0.139000 0.746292 0.973342 Li\n0.395516 0.498056 0.218000 Li\n0.264027 0.501268 0.442496 Li\n0.059276 0.503567 0.891762 Li\n0.231421 0.999020 0.053984 Li\n0.111678 0.001105 0.285724 Li\n0.910170 0.751852 0.417911 Co\n0.749021 0.249209 0.250815 Co\n0.414373 0.248316 0.917239 Co\n0.593249 0.747777 0.086333 Co\n0.247025 0.747829 0.752872 Co\n0.077160 0.251987 0.583368 Co\n0.996399 0.996934 0.504090 Ni\n0.966171 0.246290 0.805535 Ni\n0.695474 0.752033 0.858755 Ni\n0.823017 0.503177 0.330562 Ni\n0.858671 0.251186 0.028549 Ni\n0.670714 0.996351 0.172108 Ni\n0.531361 0.250379 0.693588 Ni\n0.634810 0.249861 0.471803 Ni\n0.328099 0.997555 0.831451 Ni\n0.369749 0.748969 0.526430 Ni\n0.494837 0.502812 0.001018 Ni\n0.153004 0.503631 0.667233 Ni\n0.194720 0.250517 0.362070 Ni\n0.300218 0.249913 0.139693 Ni\n0.044564 0.746326 0.191412 Ni\n0.945660 0.634418 0.765980 O\n0.789728 0.640828 0.981563 O\n0.956286 0.368649 0.463799 O\n0.858966 0.369830 0.675445 O\n0.705162 0.366712 0.905227 O\n0.825287 0.859258 0.295999 O\n0.707091 0.862528 0.505985 O\n0.791263 0.138032 0.593969 O\n0.486664 0.862589 0.959562 O\n0.978026 0.135199 0.160034 O\n0.896105 0.141344 0.372245 O\n0.879035 0.870454 0.074568 O\n0.620978 0.134570 0.829219 O\n0.540975 0.861044 0.745868 O\n0.612358 0.637537 0.432789 O\n0.708434 0.637363 0.196848 O\n0.380750 0.633752 0.866046 O\n0.448802 0.631055 0.656783 O\n0.603082 0.358449 0.129453 O\n0.518336 0.364704 0.341126 O\n0.288700 0.365574 0.798202 O\n0.365619 0.369892 0.571516 O\n0.376000 0.867738 0.169765 O\n0.447397 0.136490 0.254310 O\n0.166866 0.857672 0.620807 O\n0.537577 0.133037 0.035573 O\n0.041022 0.860720 0.836501 O\n0.121934 0.128886 0.928256 O\n0.289821 0.141767 0.489707 O\n0.213227 0.139154 0.700219 O\n0.204753 0.861186 0.411922 O\n0.308746 0.638247 0.095444 O\n0.038549 0.633418 0.532053 O\n0.118796 0.628293 0.326583 O\n0.203855 0.360836 0.009829 O\n0.050206 0.361323 0.248004 O\n","nsites":69,"nelements":4,"elements":["Li","Co","Ni","O"],"chemical_system":"Co-Li-Ni-O","density":5.007572720797182,"density_atomic":0.1099042720697272,"volume":627.8190892909416,"volume_molar":5.47944192394936,"formula_full":"Li12 Co6 Ni15 O36","formula_reduced":"Li4Co2Ni5O12","formula_anonymous":"A2B4C5D12","energy":-428.00777199,"energy_per_atom":-6.203011188260869,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.33277199,"band_gap":0.0045999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0000121,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.046000Z","spacegroup":1},{"id":"mp-1111442","created_at":"2022-09-04T14:39:36.748143Z","structure_string":"K2 Rb1 Au1 F6\n1.0\n0.000000 4.738827 4.738827\n4.738827 0.000000 4.738827\n4.738827 4.738827 0.000000\nK Rb Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.773347 0.226653 0.226653 F\n0.226653 0.226653 0.773347 F\n0.226653 0.773347 0.773347 F\n0.226653 0.773347 0.226653 F\n0.773347 0.226653 0.773347 F\n0.773347 0.773347 0.226653 F\n","nsites":10,"nelements":4,"elements":["K","Rb","Au","F"],"chemical_system":"Au-F-K-Rb","density":3.703001128010257,"density_atomic":0.046984806393988277,"volume":212.8347601593928,"volume_molar":12.817208843007036,"formula_full":"K2 Rb1 Au1 F6","formula_reduced":"K2RbAuF6","formula_anonymous":"ABC2D6","energy":-40.50841144,"energy_per_atom":-4.0508411440000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.73641144,"band_gap":0.7577999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0158522,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.573000Z","spacegroup":225},{"id":"mp-753596","created_at":"2022-09-04T14:39:27.596390Z","structure_string":"V2 Cr2 P4 H4 O20\n1.0\n4.390193 -1.966373 4.730338\n-1.925617 7.131349 -0.020467\n-5.938315 -2.086369 4.938805\nV Cr P H O\n2 2 4 4 20\ndirect\n0.500071 0.499695 0.500086 V\n0.999922 0.500276 0.000017 V\n0.999919 0.000221 0.000081 Cr\n0.500069 0.999730 0.499866 Cr\n0.508198 0.218942 0.169586 P\n0.008265 0.218962 0.669716 P\n0.491752 0.781014 0.830316 P\n0.991748 0.781089 0.330390 P\n0.178160 0.336180 0.162654 H\n0.678417 0.335410 0.662409 H\n0.821909 0.664715 0.837609 H\n0.321793 0.663732 0.337401 H\n0.449829 0.713688 0.414992 O\n0.949730 0.714931 0.915453 O\n0.550587 0.285263 0.584600 O\n0.050234 0.286243 0.084980 O\n0.435085 0.364271 0.282318 O\n0.935121 0.364452 0.782290 O\n0.564858 0.635547 0.717744 O\n0.064829 0.635671 0.217642 O\n0.301703 0.638314 0.947704 O\n0.801683 0.638280 0.447682 O\n0.698012 0.361830 0.052177 O\n0.198298 0.361590 0.552342 O\n0.311457 0.077203 0.061920 O\n0.811569 0.077083 0.561964 O\n0.688351 0.922850 0.938040 O\n0.188467 0.922779 0.438081 O\n0.601952 0.115020 0.278352 O\n0.101959 0.115160 0.778648 O\n0.398068 0.884865 0.721356 O\n0.897983 0.884994 0.221583 O\n","nsites":32,"nelements":5,"elements":["V","Cr","P","H","O"],"chemical_system":"Cr-H-O-P-V","density":3.059680768186127,"density_atomic":0.09018591558798791,"volume":354.82258833176564,"volume_molar":6.6774736617544574,"formula_full":"V2 Cr2 P4 H4 O20","formula_reduced":"VCrP2(HO5)2","formula_anonymous":"ABC2D2E10","energy":-244.04207973,"energy_per_atom":-7.6263149915625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-222.90407973,"band_gap":0.696,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0016764,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.234000Z","spacegroup":2},{"id":"mp-26724","created_at":"2022-09-04T14:39:24.442367Z","structure_string":"Co2 P8 O24\n1.0\n6.154683 8.515247 0.000000\n-6.154683 8.515247 0.000000\n0.000000 0.714916 5.081094\nCo P O\n2 8 24\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.788221 0.361535 0.818186 P\n0.941988 0.698859 0.465828 P\n0.058012 0.301141 0.534172 P\n0.361535 0.788221 0.818186 P\n0.698859 0.941988 0.465828 P\n0.638465 0.211779 0.181814 P\n0.301141 0.058012 0.534172 P\n0.211779 0.638465 0.181814 P\n0.434324 0.669833 0.663490 O\n0.398895 0.084082 0.701797 O\n0.565676 0.330167 0.336510 O\n0.914358 0.280918 0.627159 O\n0.165665 0.553985 0.015035 O\n0.915918 0.601105 0.298203 O\n0.719082 0.085642 0.372841 O\n0.330517 0.072700 0.242344 O\n0.669483 0.927300 0.757656 O\n0.848132 0.848132 0.386846 O\n0.084082 0.398895 0.701797 O\n0.330167 0.565676 0.336510 O\n0.232524 0.767476 0.000000 O\n0.085642 0.719082 0.372841 O\n0.446015 0.834335 0.984965 O\n0.669833 0.434324 0.663490 O\n0.767476 0.232524 0.000000 O\n0.553985 0.165665 0.015035 O\n0.927300 0.669483 0.757656 O\n0.072700 0.330517 0.242344 O\n0.601105 0.915918 0.298203 O\n0.151868 0.151868 0.613154 O\n0.280918 0.914358 0.627159 O\n0.834335 0.446015 0.984965 O\n","nsites":34,"nelements":3,"elements":["Co","P","O"],"chemical_system":"Co-O-P","density":2.337291575015492,"density_atomic":0.06383939354629109,"volume":532.5865129866246,"volume_molar":9.433267494361829,"formula_full":"Co2 P8 O24","formula_reduced":"Co(PO3)4","formula_anonymous":"AB4C12","energy":-251.74581156,"energy_per_atom":-7.404288575294117,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-231.98181156,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000003,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.568000Z","spacegroup":12},{"id":"mp-22820","created_at":"2022-09-04T14:39:27.597060Z","structure_string":"Na8 In4 Ni4 F28\n1.0\n7.429133 0.000000 0.000000\n0.000000 7.599476 0.000000\n0.000000 0.000000 10.428563\nNa In Ni F\n8 4 4 28\ndirect\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.250000 0.247223 0.768763 Na\n0.250000 0.252777 0.268763 Na\n0.750000 0.747223 0.731237 Na\n0.750000 0.752777 0.231237 Na\n0.250000 0.772442 0.768018 In\n0.750000 0.227558 0.231982 In\n0.750000 0.272442 0.731982 In\n0.250000 0.727558 0.268018 In\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.494791 0.303230 0.631257 F\n0.994791 0.696770 0.368743 F\n0.505209 0.803230 0.868743 F\n0.005209 0.196770 0.131257 F\n0.505209 0.696770 0.368743 F\n0.005209 0.303230 0.631257 F\n0.494791 0.196770 0.131257 F\n0.994791 0.803230 0.868743 F\n0.448406 0.692299 0.628759 F\n0.948406 0.307701 0.371241 F\n0.551594 0.192299 0.871241 F\n0.051594 0.807701 0.128759 F\n0.551594 0.307701 0.371241 F\n0.051594 0.692299 0.628759 F\n0.448406 0.807701 0.128759 F\n0.948406 0.192299 0.871241 F\n0.250000 0.017185 0.930589 F\n0.750000 0.982815 0.069411 F\n0.750000 0.517185 0.569411 F\n0.250000 0.482815 0.430589 F\n0.250000 0.997159 0.653215 F\n0.750000 0.002841 0.346785 F\n0.750000 0.497159 0.846785 F\n0.250000 0.502841 0.153215 F\n0.250000 0.524534 0.859888 F\n0.750000 0.475466 0.140112 F\n0.750000 0.024534 0.640112 F\n0.250000 0.975466 0.359888 F\n","nsites":44,"nelements":4,"elements":["Na","In","Ni","F"],"chemical_system":"F-In-Na-Ni","density":3.9764637142737036,"density_atomic":0.07473196921487889,"volume":588.7707826015609,"volume_molar":8.058319382277178,"formula_full":"Na8 In4 Ni4 F28","formula_reduced":"Na2InNiF7","formula_anonymous":"ABC2D7","energy":-220.5534566,"energy_per_atom":-5.012578559090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.45345660000004,"band_gap":1.0609,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.9995969,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.480000Z","spacegroup":62},{"id":"mp-770706","created_at":"2022-09-04T14:39:27.601155Z","structure_string":"Li12 Mn2 Al2 O12\n1.0\n4.560379 2.804654 0.000000\n-4.560379 2.804654 0.000000\n0.000000 0.452126 9.785492\nLi Mn Al O\n12 2 2 12\ndirect\n0.684035 0.060036 0.078477 Li\n0.619535 0.931935 0.580781 Li\n0.315292 0.373291 0.573210 Li\n0.380465 0.068065 0.419219 Li\n0.373291 0.315292 0.073210 Li\n0.315965 0.939964 0.921523 Li\n0.068065 0.380465 0.919219 Li\n0.931935 0.619535 0.080781 Li\n0.060036 0.684035 0.578477 Li\n0.939964 0.315965 0.421523 Li\n0.684708 0.626709 0.426790 Li\n0.626709 0.684708 0.926790 Li\n0.002747 0.997253 0.250000 Mn\n0.997253 0.002747 0.750000 Mn\n0.660665 0.339335 0.750000 Al\n0.339335 0.660665 0.250000 Al\n0.666450 0.958283 0.361706 O\n0.718430 0.063702 0.866830 O\n0.315110 0.374891 0.372522 O\n0.281570 0.936298 0.133170 O\n0.333550 0.041717 0.638294 O\n0.374891 0.315110 0.872522 O\n0.958283 0.666450 0.861706 O\n0.936298 0.281570 0.633170 O\n0.063702 0.718430 0.366830 O\n0.041717 0.333550 0.138294 O\n0.625109 0.684890 0.127478 O\n0.684890 0.625109 0.627478 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Al","O"],"chemical_system":"Al-Li-Mn-O","density":2.9130192075763492,"density_atomic":0.11185750826373524,"volume":250.31846708029826,"volume_molar":5.383760869946366,"formula_full":"Li12 Mn2 Al2 O12","formula_reduced":"Li6MnAlO6","formula_anonymous":"ABC6D6","energy":-172.35035148,"energy_per_atom":-6.155369695714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.77035148,"band_gap":0.7321,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9984824,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.981000Z","spacegroup":15},{"id":"mp-557720","created_at":"2022-09-04T14:39:32.975561Z","structure_string":"Ce2 F6\n1.0\n2.077809 -3.598871 0.000000\n2.077809 3.598871 0.000000\n0.000000 0.000000 7.319181\nCe F\n2 6\ndirect\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n0.666667 0.333333 0.078343 F\n0.333333 0.666667 0.578343 F\n0.333333 0.666667 0.921657 F\n0.000000 0.000000 0.750000 F\n0.000000 0.000000 0.250000 F\n0.666667 0.333333 0.421657 F\n","nsites":8,"nelements":2,"elements":["Ce","F"],"chemical_system":"Ce-F","density":5.980342131677239,"density_atomic":0.0730845540351544,"volume":109.4622537636601,"volume_molar":8.239963750895011,"formula_full":"Ce2 F6","formula_reduced":"CeF3","formula_anonymous":"AB3","energy":-57.58345906,"energy_per_atom":-7.1979323825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.81145906,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.951000Z","spacegroup":194},{"id":"mp-14005","created_at":"2022-09-04T14:39:25.478005Z","structure_string":"K2 Ru2 O8\n1.0\n-2.881631 2.881631 6.547782\n2.881631 -2.881631 6.547782\n2.881631 2.881631 -6.547782\nK Ru O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.786244 0.399875 0.836932 O\n0.149875 0.812943 0.113631 O\n0.699312 0.036244 0.886369 O\n0.562943 0.949312 0.163068 O\n0.187057 0.300688 0.336932 O\n0.050688 0.213756 0.613631 O\n0.600125 0.437057 0.386369 O\n0.963756 0.850125 0.663068 O\n","nsites":12,"nelements":3,"elements":["K","Ru","O"],"chemical_system":"K-O-Ru","density":3.117678747433631,"density_atomic":0.05517601206076261,"volume":217.48581587928092,"volume_molar":10.91441830440394,"formula_full":"K2 Ru2 O8","formula_reduced":"KRuO4","formula_anonymous":"ABC4","energy":-79.32037002,"energy_per_atom":-6.610030835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.82437002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0013801,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.883000Z","spacegroup":88},{"id":"mp-1041863","created_at":"2022-09-04T14:39:24.450274Z","structure_string":"Mn8 Zn8 Si16 O48\n1.0\n5.339660 0.000000 0.000000\n0.000000 9.207512 0.000000\n0.000000 0.000000 18.770252\nMn Zn Si O\n8 8 16 48\ndirect\n0.379897 0.988138 0.876832 Mn\n0.620103 0.011862 0.123168 Mn\n0.879897 0.011862 0.623168 Mn\n0.120103 0.988138 0.376832 Mn\n0.379897 0.488138 0.623168 Mn\n0.620103 0.511862 0.376832 Mn\n0.879897 0.511862 0.876832 Mn\n0.120103 0.488138 0.123168 Mn\n0.616155 0.148075 0.375126 Zn\n0.383845 0.851925 0.624874 Zn\n0.616155 0.648075 0.124874 Zn\n0.116155 0.851925 0.124874 Zn\n0.883845 0.148075 0.875126 Zn\n0.383845 0.351925 0.875126 Zn\n0.116155 0.351925 0.375126 Zn\n0.883845 0.648075 0.624874 Zn\n0.562461 0.662001 0.771359 Si\n0.707792 0.835224 0.475337 Si\n0.792208 0.835224 0.975337 Si\n0.937539 0.162001 0.228641 Si\n0.062461 0.337999 0.728641 Si\n0.437539 0.837999 0.271359 Si\n0.207792 0.664776 0.475337 Si\n0.707792 0.335224 0.024663 Si\n0.792208 0.335224 0.524663 Si\n0.937539 0.662001 0.271359 Si\n0.437539 0.337999 0.228641 Si\n0.562461 0.162001 0.728641 Si\n0.292208 0.164776 0.524663 Si\n0.062461 0.837999 0.771359 Si\n0.292208 0.664776 0.975337 Si\n0.207792 0.164776 0.024663 Si\n0.936317 0.504713 0.309856 O\n0.290756 0.016451 0.064586 O\n0.063683 0.495287 0.690144 O\n0.707280 0.338094 0.937120 O\n0.207280 0.161906 0.937120 O\n0.919209 0.210909 0.050828 O\n0.942567 0.662925 0.183999 O\n0.057433 0.837075 0.683999 O\n0.707280 0.838094 0.562880 O\n0.942567 0.162925 0.316001 O\n0.436317 0.495287 0.190144 O\n0.792720 0.338094 0.437120 O\n0.709244 0.983549 0.935414 O\n0.442567 0.837075 0.183999 O\n0.563683 0.004713 0.690144 O\n0.290756 0.516451 0.435414 O\n0.436317 0.995287 0.309856 O\n0.169066 0.765940 0.300829 O\n0.330934 0.765940 0.800829 O\n0.580791 0.710909 0.949172 O\n0.792720 0.838094 0.062880 O\n0.557433 0.662925 0.683999 O\n0.790756 0.483549 0.064586 O\n0.169066 0.265940 0.199171 O\n0.292720 0.161906 0.437120 O\n0.557433 0.162925 0.816001 O\n0.709244 0.483549 0.564586 O\n0.207280 0.661906 0.562880 O\n0.209244 0.516451 0.935414 O\n0.669066 0.734060 0.300829 O\n0.063683 0.995287 0.809856 O\n0.830934 0.734060 0.800829 O\n0.830934 0.234060 0.699171 O\n0.790756 0.983549 0.435414 O\n0.292720 0.661906 0.062880 O\n0.209244 0.016451 0.564586 O\n0.330934 0.265940 0.699171 O\n0.080791 0.789091 0.949172 O\n0.419209 0.789091 0.449172 O\n0.669066 0.234060 0.199171 O\n0.419209 0.289091 0.050828 O\n0.580791 0.210909 0.550828 O\n0.080791 0.289091 0.550828 O\n0.442567 0.337075 0.316001 O\n0.563683 0.504713 0.809856 O\n0.919209 0.710909 0.449172 O\n0.057433 0.337075 0.816001 O\n0.936317 0.004713 0.190144 O\n","nsites":80,"nelements":4,"elements":["Mn","Zn","Si","O"],"chemical_system":"Mn-O-Si-Zn","density":3.922858207887908,"density_atomic":0.08668899851377154,"volume":922.8391303573669,"volume_molar":6.946833927310066,"formula_full":"Mn8 Zn8 Si16 O48","formula_reduced":"MnZn(SiO3)2","formula_anonymous":"ABC2D6","energy":-623.90296218,"energy_per_atom":-7.79878702725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-577.58296218,"band_gap":2.6174000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":40.0002343,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.157000Z","spacegroup":61},{"id":"mp-558431","created_at":"2022-09-04T14:39:29.696341Z","structure_string":"Li4 Cu4 P12 O36\n1.0\n9.591251 0.000000 0.000000\n-3.703176 8.862686 0.000000\n-2.791713 -4.017955 8.291110\nLi Cu P O\n4 4 12 36\ndirect\n0.652261 0.068284 0.501347 Li\n0.638231 0.833104 0.681168 Li\n0.361769 0.166896 0.318832 Li\n0.347739 0.931716 0.498653 Li\n0.102357 0.292938 0.213745 Cu\n0.897643 0.707062 0.786255 Cu\n0.258141 0.769558 0.718180 Cu\n0.741859 0.230442 0.281820 Cu\n0.424104 0.664428 0.295819 P\n0.013251 0.395076 0.646745 P\n0.812776 0.916279 0.076384 P\n0.986749 0.604924 0.353255 P\n0.683209 0.569471 0.411199 P\n0.187224 0.083721 0.923616 P\n0.316791 0.430529 0.588801 P\n0.953311 0.212844 0.843615 P\n0.512814 0.148312 0.899278 P\n0.487186 0.851688 0.100722 P\n0.575896 0.335572 0.704181 P\n0.046689 0.787156 0.156385 P\n0.505732 0.176315 0.556703 O\n0.211597 0.927003 0.294619 O\n0.944591 0.428377 0.325080 O\n0.433208 0.385228 0.704504 O\n0.437670 0.985623 0.749878 O\n0.960381 0.269449 0.007864 O\n0.788403 0.072997 0.705381 O\n0.395436 0.615273 0.641752 O\n0.841271 0.639652 0.370172 O\n0.104532 0.177467 0.845309 O\n0.984650 0.623976 0.193577 O\n0.634092 0.172652 0.053235 O\n0.262050 0.312957 0.416414 O\n0.264382 0.517626 0.258548 O\n0.895468 0.822533 0.154691 O\n0.055409 0.571623 0.674920 O\n0.786723 0.869965 0.905789 O\n0.365015 0.177679 0.918915 O\n0.365908 0.827348 0.946765 O\n0.093006 0.901166 0.802733 O\n0.154674 0.743623 0.494282 O\n0.604564 0.384727 0.358248 O\n0.039619 0.730551 0.992136 O\n0.494268 0.823685 0.443297 O\n0.608226 0.301838 0.863031 O\n0.213277 0.130035 0.094211 O\n0.562330 0.014377 0.250122 O\n0.634985 0.822321 0.081085 O\n0.158729 0.360348 0.629828 O\n0.015350 0.376024 0.806423 O\n0.566792 0.614772 0.295496 O\n0.906994 0.098834 0.197267 O\n0.845326 0.256377 0.505718 O\n0.735618 0.482374 0.741452 O\n0.737950 0.687043 0.583586 O\n0.391774 0.698162 0.136969 O\n","nsites":56,"nelements":4,"elements":["Li","Cu","P","O"],"chemical_system":"Cu-Li-O-P","density":2.897101646562471,"density_atomic":0.07945746965016677,"volume":704.7795537229578,"volume_molar":7.579074423731489,"formula_full":"Li4 Cu4 P12 O36","formula_reduced":"LiCu(PO3)3","formula_anonymous":"ABC3D9","energy":-401.59369956,"energy_per_atom":-7.171316063571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-376.86169956,"band_gap":0.6215000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9989646,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.181000Z","spacegroup":2}]}