{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=62","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=60","results":[{"id":"mp-1213935","created_at":"2022-09-04T14:39:09.767323Z","structure_string":"Cd2 Ni2 P8 O24\n1.0\n4.333652 6.062175 0.000000\n-4.333652 6.062175 0.000000\n0.000000 4.712122 8.906153\nCd Ni P O\n2 2 8 24\ndirect\n0.450132 0.549868 0.250000 Cd\n0.549868 0.450132 0.750000 Cd\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.767562 0.219387 0.475034 P\n0.232438 0.780613 0.524966 P\n0.780613 0.232438 0.024966 P\n0.219387 0.767562 0.975034 P\n0.812813 0.805156 0.196073 P\n0.187187 0.194844 0.803927 P\n0.194844 0.187187 0.303927 P\n0.805156 0.812813 0.696073 P\n0.593124 0.324401 0.418757 O\n0.406876 0.675599 0.581243 O\n0.675599 0.406876 0.081243 O\n0.324401 0.593124 0.918757 O\n0.309360 0.153534 0.155659 O\n0.690640 0.846466 0.844341 O\n0.846466 0.690640 0.344341 O\n0.153534 0.309360 0.655659 O\n0.627451 0.799311 0.169146 O\n0.372549 0.200689 0.830854 O\n0.200689 0.372549 0.330854 O\n0.799311 0.627451 0.669146 O\n0.302266 0.813051 0.073071 O\n0.697734 0.186949 0.926929 O\n0.186949 0.697734 0.426929 O\n0.813051 0.302266 0.573071 O\n0.811208 0.035220 0.162762 O\n0.188792 0.964780 0.837238 O\n0.964780 0.188792 0.337238 O\n0.035220 0.811208 0.662762 O\n0.738188 0.995873 0.562832 O\n0.261812 0.004127 0.437168 O\n0.004127 0.261812 0.937168 O\n0.995873 0.738188 0.062832 O\n","nsites":36,"nelements":4,"elements":["Cd","Ni","P","O"],"chemical_system":"Cd-Ni-O-P","density":3.4561970162970725,"density_atomic":0.07693072946107012,"volume":467.953446590122,"volume_molar":7.82800423470238,"formula_full":"Cd2 Ni2 P8 O24","formula_reduced":"CdNi(PO3)4","formula_anonymous":"ABC4D12","energy":-262.3639927,"energy_per_atom":-7.287888686111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.7939927,"band_gap":0.0429999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0007186,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.715000Z","spacegroup":15},{"id":"mp-1520922","created_at":"2022-09-04T14:39:08.463943Z","structure_string":"Pr1 Eu1 Mn1 Nb1 O6\n1.0\n0.000000 -4.080311 -4.080311\n4.080311 -0.000000 -4.080311\n4.080311 -4.080311 0.000000\nPr Eu Mn Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Nb\n0.744076 0.255924 0.255924 O\n0.255924 0.744076 0.744076 O\n0.744076 0.255924 0.744076 O\n0.255924 0.744076 0.255924 O\n0.744076 0.744076 0.255924 O\n0.255924 0.255924 0.744076 O\n","nsites":10,"nelements":5,"elements":["Pr","Eu","Mn","Nb","O"],"chemical_system":"Eu-Mn-Nb-O-Pr","density":6.559654919349598,"density_atomic":0.07360210003503491,"volume":135.86568855019024,"volume_molar":8.18202300903566,"formula_full":"Pr1 Eu1 Mn1 Nb1 O6","formula_reduced":"PrEuMnNbO6","formula_anonymous":"ABCDE6","energy":-93.85252599,"energy_per_atom":-9.385252599000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.06252599000001,"band_gap":0.1095000000000006,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0000129,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.562000Z","spacegroup":216},{"id":"mp-1212992","created_at":"2022-09-04T14:39:09.339893Z","structure_string":"Eu4 Zn2 Pt2 O12\n1.0\n5.796622 0.000000 0.000000\n0.000000 5.534341 0.000000\n0.000000 5.514362 7.833377\nEu Zn Pt O\n4 2 2 12\ndirect\n0.062867 0.731283 0.752804 Eu\n0.937133 0.268717 0.247196 Eu\n0.562867 0.268717 0.747196 Eu\n0.437133 0.731283 0.252804 Eu\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.462848 0.856310 0.747165 O\n0.537152 0.143690 0.252835 O\n0.962848 0.143690 0.752835 O\n0.037152 0.856310 0.247165 O\n0.792895 0.756277 0.555653 O\n0.207105 0.243723 0.444347 O\n0.292895 0.243723 0.944347 O\n0.707105 0.756277 0.055653 O\n0.307908 0.651431 0.547934 O\n0.692092 0.348569 0.452066 O\n0.807908 0.348569 0.952066 O\n0.192092 0.651431 0.047934 O\n","nsites":20,"nelements":4,"elements":["Eu","Zn","Pt","O"],"chemical_system":"Eu-O-Pt-Zn","density":8.727858087282518,"density_atomic":0.07958662196526535,"volume":251.2985160838811,"volume_molar":7.566775183181281,"formula_full":"Eu4 Zn2 Pt2 O12","formula_reduced":"Eu2ZnPtO6","formula_anonymous":"ABC2D6","energy":-160.87780223,"energy_per_atom":-8.0438901115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.63380223,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.941000Z","spacegroup":14},{"id":"mp-1222580","created_at":"2022-09-04T14:39:10.553837Z","structure_string":"Li5 Cr3 P4 O16\n1.0\n5.011705 0.000000 0.000000\n-2.065974 7.746967 0.000000\n-0.083197 -3.063121 8.022893\nLi Cr P O\n5 3 4 16\ndirect\n0.167215 0.897836 0.895296 Li\n0.830833 0.097996 0.105645 Li\n0.231559 0.019738 0.290987 Li\n0.764479 0.969502 0.703226 Li\n0.599953 0.758417 0.287377 Li\n0.002667 0.506400 0.009195 Cr\n0.500867 0.503786 0.497199 Cr\n0.409500 0.247975 0.719945 Cr\n0.588084 0.696553 0.908882 P\n0.412018 0.303666 0.097062 P\n0.128578 0.793097 0.527902 P\n0.871462 0.205074 0.463358 P\n0.739688 0.668763 0.051878 O\n0.252719 0.331381 0.952195 O\n0.239640 0.823449 0.371972 O\n0.768153 0.175897 0.624828 O\n0.800973 0.736912 0.509122 O\n0.200940 0.267433 0.488930 O\n0.242082 0.655167 0.576837 O\n0.755635 0.347700 0.424640 O\n0.289496 0.703633 0.950051 O\n0.707524 0.296127 0.048619 O\n0.584234 0.527380 0.743690 O\n0.409584 0.469194 0.256739 O\n0.743620 0.878969 0.888708 O\n0.255839 0.116321 0.108358 O\n0.210330 0.977285 0.687838 O\n0.792328 0.024349 0.309519 O\n","nsites":28,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":3.0417007406193237,"density_atomic":0.08988967819947741,"volume":311.4929384646833,"volume_molar":6.699479718501217,"formula_full":"Li5 Cr3 P4 O16","formula_reduced":"Li5Cr3(PO4)4","formula_anonymous":"A3B4C5D16","energy":-213.06651114,"energy_per_atom":-7.609518254999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.07751114,"band_gap":2.1682,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.0002838,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.049000Z","spacegroup":1},{"id":"mp-1276134","created_at":"2022-09-04T14:39:09.781598Z","structure_string":"V4 Fe2 O8\n1.0\n0.036789 -0.004578 6.063317\n5.279907 0.006559 -2.999701\n-3.528275 4.901642 -0.025070\nV Fe O\n4 2 8\ndirect\n0.997644 0.495560 0.993144 V\n0.999545 0.500798 0.499995 V\n0.001875 0.997099 0.498818 V\n0.498748 0.000226 0.499851 V\n0.378931 0.252321 0.131576 Fe\n0.621305 0.750900 0.871309 Fe\n0.234222 0.493595 0.739959 O\n0.248752 0.512418 0.261074 O\n0.250490 0.978704 0.729895 O\n0.254319 0.993677 0.259637 O\n0.751287 0.022584 0.273509 O\n0.746214 0.006282 0.739944 O\n0.766020 0.505955 0.260209 O\n0.750648 0.489879 0.741081 O\n","nsites":14,"nelements":3,"elements":["V","Fe","O"],"chemical_system":"Fe-O-V","density":4.673806015534114,"density_atomic":0.08885948399348367,"volume":157.55211904028906,"volume_molar":6.77715027069212,"formula_full":"V4 Fe2 O8","formula_reduced":"V2FeO4","formula_anonymous":"AB2C4","energy":-122.97295296,"energy_per_atom":-8.783782354285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.16495296,"band_gap":0.7147000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9992503,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.879000Z","spacegroup":74},{"id":"mp-755795","created_at":"2022-09-04T14:39:11.155845Z","structure_string":"Li4 Cr2 O6\n1.0\n5.144795 2.921269 0.004752\n-5.144725 2.921143 -0.004746\n-3.372931 -0.000037 4.158404\nLi Cr O\n4 2 6\ndirect\n0.260967 0.583785 0.753320 Li\n0.416224 0.739044 0.253316 Li\n0.583782 0.260969 0.746672 Li\n0.739047 0.416224 0.246693 Li\n0.914106 0.914107 0.749998 Cr\n0.085893 0.085885 0.250012 Cr\n0.216966 0.917881 0.732827 O\n0.082121 0.783020 0.232842 O\n0.611241 0.611241 0.749994 O\n0.388746 0.388749 0.250006 O\n0.917883 0.216974 0.767159 O\n0.783024 0.082120 0.267161 O\n","nsites":12,"nelements":3,"elements":["Li","Cr","O"],"chemical_system":"Cr-Li-O","density":3.0234543755884213,"density_atomic":0.09593392745034865,"volume":125.0860912184659,"volume_molar":6.277383736965014,"formula_full":"Li4 Cr2 O6","formula_reduced":"Li2CrO3","formula_anonymous":"AB2C3","energy":-83.61719523000001,"energy_per_atom":-6.968099602500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.49719523,"band_gap":1.7417,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9997202,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.428000Z","spacegroup":15},{"id":"mp-1245171","created_at":"2022-09-04T14:39:10.579171Z","structure_string":"V30 O75\n1.0\n11.693253 0.085706 -0.214903\n0.065072 12.670527 -0.362477\n-0.212667 -0.343310 12.309184\nV O\n30 75\ndirect\n0.035496 0.801314 0.149037 V\n0.943213 0.819400 0.651749 V\n0.041242 0.149658 0.127922 V\n0.928795 0.167083 0.375097 V\n0.914412 0.106317 0.861408 V\n0.071804 0.726828 0.894211 V\n0.979552 0.500827 0.945119 V\n0.394107 0.752198 0.191044 V\n0.663053 0.481443 0.646924 V\n0.194235 0.550817 0.217168 V\n0.646083 0.127823 0.440001 V\n0.316905 0.910598 0.409189 V\n0.308083 0.875608 0.879772 V\n0.522633 0.141429 0.814662 V\n0.737154 0.731528 0.595494 V\n0.074617 0.152963 0.639567 V\n0.122462 0.787797 0.355677 V\n0.274852 0.141075 0.977363 V\n0.359349 0.542861 0.461674 V\n0.695107 0.292225 0.830175 V\n0.398130 0.497164 0.783432 V\n0.543981 0.942031 0.605561 V\n0.475264 0.288671 0.428665 V\n0.960888 0.400588 0.237031 V\n0.681270 0.542980 0.953819 V\n0.251454 0.355639 0.563998 V\n0.632675 0.701622 0.313723 V\n0.566111 0.779392 0.978418 V\n0.418793 0.552107 0.027702 V\n0.380713 0.343655 0.161042 V\n0.187171 0.332229 0.445356 O\n0.182407 0.123901 0.111517 O\n0.742153 0.711490 0.235657 O\n0.986516 0.747999 0.010649 O\n0.677382 0.455261 0.517955 O\n0.686128 0.384986 0.933868 O\n0.354791 0.239487 0.063152 O\n0.891848 0.705727 0.573441 O\n0.516456 0.797837 0.268337 O\n0.965963 0.105948 0.008691 O\n0.836597 0.537534 0.915088 O\n0.277320 0.995232 0.955621 O\n0.319193 0.511475 0.931434 O\n0.255172 0.410345 0.187514 O\n0.528186 0.018113 0.727604 O\n0.553498 0.251694 0.745221 O\n0.261935 0.498376 0.557652 O\n0.671781 0.690887 0.928044 O\n0.483325 0.695942 0.064422 O\n0.321626 0.616321 0.147022 O\n0.968904 0.490620 0.099837 O\n0.169029 0.194138 0.912659 O\n0.168823 0.908875 0.434782 O\n0.263747 0.568718 0.345081 O\n0.084184 0.525983 0.077904 O\n0.211864 0.769061 0.921942 O\n0.319116 0.392964 0.722933 O\n0.943224 0.296262 0.352479 O\n0.799615 0.853878 0.672986 O\n0.342528 0.606884 0.745419 O\n0.838412 0.220821 0.835147 O\n0.068723 0.592631 0.864474 O\n0.455126 0.833934 0.887368 O\n0.107132 0.308095 0.620000 O\n0.088961 0.705529 0.442579 O\n0.636879 0.015416 0.526345 O\n0.340011 0.004313 0.330594 O\n0.827652 0.435527 0.239929 O\n0.567958 0.588056 0.288186 O\n0.710360 0.624762 0.671508 O\n0.679938 0.544655 0.083301 O\n0.736185 0.383706 0.719928 O\n0.055478 0.496411 0.286865 O\n0.109022 0.272951 0.728779 O\n0.827523 0.008457 0.849669 O\n0.343437 0.850916 0.127239 O\n0.994011 0.103516 0.258790 O\n0.443054 0.294215 0.278827 O\n0.999976 0.905356 0.578546 O\n0.131337 0.707864 0.210970 O\n0.420759 0.652243 0.504374 O\n0.378401 0.265595 0.529984 O\n0.297103 0.786219 0.328518 O\n0.529900 0.130663 0.358688 O\n0.989342 0.835258 0.284918 O\n0.390723 0.147531 0.874367 O\n0.008645 0.085243 0.746069 O\n0.688373 0.720314 0.462676 O\n0.986647 0.142486 0.502893 O\n0.468006 0.433276 0.104938 O\n0.275727 0.894410 0.754240 O\n0.619411 0.248716 0.505105 O\n0.519969 0.483921 0.684826 O\n0.196254 0.097144 0.615448 O\n0.634141 0.156445 0.904423 O\n0.017655 0.283999 0.146406 O\n0.109203 0.902608 0.121867 O\n0.780012 0.130406 0.370660 O\n0.415338 0.922529 0.530112 O\n0.454557 0.435958 0.435670 O\n0.597118 0.821307 0.630777 O\n0.623512 0.876083 0.050421 O\n0.001052 0.383545 0.894759 O\n0.527182 0.528597 0.907520 O\n0.020308 0.792832 0.783045 O\n","nsites":105,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":2.4869345103490033,"density_atomic":0.05764058049911642,"volume":1821.6332849321245,"volume_molar":10.447744814249942,"formula_full":"V30 O75","formula_reduced":"V2O5","formula_anonymous":"A2B5","energy":-830.31223845,"energy_per_atom":-7.9077356042857145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-767.23723845,"band_gap":0.9358,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.915000Z","spacegroup":1},{"id":"mp-1040361","created_at":"2022-09-04T14:39:10.732897Z","structure_string":"Li1 Mg30 Ti1 O32\n1.0\n8.523098 0.000000 0.000000\n0.000000 8.523098 0.000000\n0.000000 0.000000 8.491136\nLi Mg Ti O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255399 0.255399 0.000000 Mg\n0.744601 0.255399 0.000000 Mg\n0.255399 0.744601 0.000000 Mg\n0.744601 0.744601 0.000000 Mg\n0.251569 0.251569 0.500000 Mg\n0.748431 0.251569 0.500000 Mg\n0.251569 0.748431 0.500000 Mg\n0.748431 0.748431 0.500000 Mg\n0.254811 0.000000 0.251377 Mg\n0.745189 0.000000 0.251377 Mg\n0.254154 0.500000 0.246999 Mg\n0.745846 0.500000 0.246999 Mg\n0.254811 0.000000 0.748623 Mg\n0.745189 0.000000 0.748623 Mg\n0.254154 0.500000 0.753001 Mg\n0.745846 0.500000 0.753001 Mg\n0.000000 0.254811 0.251377 Mg\n0.500000 0.254154 0.246999 Mg\n0.000000 0.745189 0.251377 Mg\n0.500000 0.745846 0.246999 Mg\n0.000000 0.254811 0.748623 Mg\n0.500000 0.254154 0.753001 Mg\n0.000000 0.745189 0.748623 Mg\n0.500000 0.745846 0.753001 Mg\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.240805 O\n0.500000 0.000000 0.250696 O\n0.000000 0.500000 0.250696 O\n0.500000 0.500000 0.256058 O\n0.000000 0.000000 0.759195 O\n0.500000 0.000000 0.749304 O\n0.000000 0.500000 0.749304 O\n0.500000 0.500000 0.743942 O\n0.248686 0.248686 0.250027 O\n0.751314 0.248686 0.250027 O\n0.248686 0.751314 0.250027 O\n0.751314 0.751314 0.250027 O\n0.248686 0.248686 0.749973 O\n0.751314 0.248686 0.749973 O\n0.248686 0.751314 0.749973 O\n0.751314 0.751314 0.749973 O\n0.247217 0.000000 0.000000 O\n0.752783 0.000000 0.000000 O\n0.242659 0.500000 0.000000 O\n0.757341 0.500000 0.000000 O\n0.247180 0.000000 0.500000 O\n0.752820 0.000000 0.500000 O\n0.248095 0.500000 0.500000 O\n0.751905 0.500000 0.500000 O\n0.000000 0.247217 0.000000 O\n0.500000 0.242659 0.000000 O\n0.000000 0.752783 0.000000 O\n0.500000 0.757341 0.000000 O\n0.000000 0.247180 0.500000 O\n0.500000 0.248095 0.500000 O\n0.000000 0.752820 0.500000 O\n0.500000 0.751905 0.500000 O\n","nsites":64,"nelements":4,"elements":["Li","Mg","Ti","O"],"chemical_system":"Li-Mg-O-Ti","density":3.4887739359800056,"density_atomic":0.10375743165427943,"volume":616.8232865791098,"volume_molar":5.804057274726903,"formula_full":"Li1 Mg30 Ti1 O32","formula_reduced":"LiMg30TiO32","formula_anonymous":"ABC30D32","energy":-410.18804127,"energy_per_atom":-6.40918814484375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-388.20404127,"band_gap":0.2337999999999995,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.0004588,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.936000Z","spacegroup":123},{"id":"mp-1113077","created_at":"2022-09-04T14:39:10.742673Z","structure_string":"Cs2 Na1 Au1 F6\n1.0\n6.419481 -0.000000 -0.000000\n3.209741 5.559433 -0.000000\n3.209741 1.853144 5.241484\nCs Na Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.238970 0.761030 0.238970 F\n0.761030 0.761030 0.238970 F\n0.761030 0.238970 0.761030 F\n0.761030 0.238970 0.238970 F\n0.238970 0.761030 0.761030 F\n0.238970 0.238970 0.761030 F\n","nsites":10,"nelements":4,"elements":["Cs","Na","Au","F"],"chemical_system":"Au-Cs-F-Na","density":5.324026628018396,"density_atomic":0.05345832132693103,"volume":187.06161644776972,"volume_molar":11.265113850416006,"formula_full":"Cs2 Na1 Au1 F6","formula_reduced":"Cs2NaAuF6","formula_anonymous":"ABC2D6","energy":-41.30652852,"energy_per_atom":-4.130652852,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.53452852,"band_gap":0.6262,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.999789,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.823000Z","spacegroup":225},{"id":"mp-1097158","created_at":"2022-09-04T14:39:18.844740Z","structure_string":"Fe2 Co1 Ir1\n1.0\n-4.495475 4.738970 7.032399\n4.495475 -4.738970 7.032399\n4.495475 4.738970 -7.032399\nFe Co Ir\n2 1 1\ndirect\n0.000000 0.247182 0.247182 Fe\n0.000000 0.752818 0.752818 Fe\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Fe","Co","Ir"],"chemical_system":"Co-Fe-Ir","density":1.0054059430688242,"density_atomic":0.006674779912069422,"volume":599.2706954677485,"volume_molar":90.22231203624689,"formula_full":"Fe2 Co1 Ir1","formula_reduced":"Fe2CoIr","formula_anonymous":"ABC2","energy":-19.78881002,"energy_per_atom":-4.947202505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.78881002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.6728314,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.266000Z","spacegroup":71},{"id":"mp-778478","created_at":"2022-09-04T14:39:10.564969Z","structure_string":"Li40 Ni8 O32\n1.0\n5.157951 0.000000 0.000000\n0.000000 9.421746 0.000000\n0.000000 0.000000 15.687488\nLi Ni O\n40 8 32\ndirect\n0.918097 0.931052 0.433884 Li\n0.581903 0.931052 0.933884 Li\n0.096707 0.921601 0.252670 Li\n0.403293 0.921601 0.752670 Li\n0.093387 0.829089 0.002559 Li\n0.406613 0.829089 0.502559 Li\n0.596195 0.823433 0.329203 Li\n0.903805 0.823433 0.829203 Li\n0.429166 0.804605 0.142944 Li\n0.070834 0.804605 0.642944 Li\n0.929166 0.695395 0.142944 Li\n0.570834 0.695395 0.642944 Li\n0.403805 0.676567 0.829203 Li\n0.096195 0.676567 0.329203 Li\n0.593387 0.670911 0.002559 Li\n0.906613 0.670911 0.502559 Li\n0.596707 0.578399 0.252670 Li\n0.903293 0.578399 0.752670 Li\n0.081903 0.568948 0.933884 Li\n0.418097 0.568948 0.433884 Li\n0.918097 0.431052 0.066116 Li\n0.581903 0.431052 0.566116 Li\n0.096707 0.421601 0.247330 Li\n0.403293 0.421601 0.747330 Li\n0.406613 0.329089 0.997441 Li\n0.093387 0.329089 0.497441 Li\n0.596195 0.323433 0.170797 Li\n0.903805 0.323433 0.670797 Li\n0.429166 0.304605 0.357056 Li\n0.070834 0.304605 0.857056 Li\n0.929166 0.195395 0.357056 Li\n0.570834 0.195395 0.857056 Li\n0.403805 0.176567 0.670797 Li\n0.096195 0.176567 0.170797 Li\n0.906613 0.170911 0.997441 Li\n0.593387 0.170911 0.497441 Li\n0.903293 0.078399 0.747330 Li\n0.596707 0.078399 0.247330 Li\n0.081903 0.068948 0.566116 Li\n0.418097 0.068948 0.066116 Li\n0.829698 0.960429 0.121355 Ni\n0.670302 0.960429 0.621355 Ni\n0.329698 0.539571 0.121355 Ni\n0.170302 0.539571 0.621355 Ni\n0.829698 0.460429 0.378645 Ni\n0.670302 0.460429 0.878645 Ni\n0.329698 0.039571 0.378645 Ni\n0.170302 0.039571 0.878645 Ni\n0.183035 0.952684 0.123835 O\n0.316965 0.952684 0.623835 O\n0.727615 0.863955 0.219248 O\n0.772385 0.863955 0.719248 O\n0.690187 0.854305 0.036171 O\n0.809813 0.854305 0.536171 O\n0.272230 0.851716 0.875058 O\n0.227770 0.851716 0.375058 O\n0.772230 0.648284 0.875058 O\n0.727770 0.648284 0.375058 O\n0.190187 0.645695 0.036171 O\n0.309813 0.645695 0.536171 O\n0.227615 0.636045 0.219248 O\n0.272385 0.636045 0.719248 O\n0.683035 0.547316 0.123835 O\n0.816965 0.547316 0.623835 O\n0.316965 0.452684 0.876165 O\n0.183035 0.452684 0.376165 O\n0.727615 0.363955 0.280752 O\n0.772385 0.363955 0.780752 O\n0.809813 0.354305 0.963829 O\n0.690187 0.354305 0.463829 O\n0.227770 0.351716 0.124942 O\n0.272230 0.351716 0.624942 O\n0.772230 0.148284 0.624942 O\n0.727770 0.148284 0.124942 O\n0.190187 0.145695 0.463829 O\n0.309813 0.145695 0.963829 O\n0.272385 0.136045 0.780752 O\n0.227615 0.136045 0.280752 O\n0.683035 0.047316 0.376165 O\n0.816965 0.047316 0.876165 O\n","nsites":80,"nelements":3,"elements":["Li","Ni","O"],"chemical_system":"Li-Ni-O","density":2.7426523733897983,"density_atomic":0.10493683863636459,"volume":762.3633515130211,"volume_molar":5.738824266345965,"formula_full":"Li40 Ni8 O32","formula_reduced":"Li5NiO4","formula_anonymous":"AB4C5","energy":-421.57649099,"energy_per_atom":-5.2697061373750005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-379.26449099,"band_gap":1.5215999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":24.0558367,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.149000Z","spacegroup":61},{"id":"mp-777972","created_at":"2022-09-04T14:40:11.726669Z","structure_string":"Li8 Mn8 F24\n1.0\n5.465863 0.000000 0.000000\n0.000000 9.035989 0.000000\n0.000000 0.000000 10.052948\nLi Mn F\n8 8 24\ndirect\n0.183006 0.165366 0.004793 Li\n0.151717 0.827560 0.781962 Li\n0.348283 0.327560 0.281962 Li\n0.316994 0.665366 0.504793 Li\n0.683006 0.334634 0.004793 Li\n0.651717 0.672440 0.781962 Li\n0.848283 0.172440 0.281962 Li\n0.816994 0.834634 0.504793 Li\n0.156392 0.477450 0.807203 Mn\n0.161494 0.143298 0.572073 Mn\n0.338506 0.643298 0.072073 Mn\n0.343608 0.977450 0.307203 Mn\n0.656392 0.022550 0.807203 Mn\n0.661494 0.356702 0.572073 Mn\n0.838506 0.856702 0.072073 Mn\n0.843608 0.522550 0.307203 Mn\n0.007660 0.332342 0.942232 F\n0.013731 0.998418 0.431572 F\n0.041634 0.681485 0.932017 F\n0.176541 0.825353 0.172317 F\n0.172189 0.156405 0.199023 F\n0.174058 0.492121 0.201198 F\n0.325942 0.992121 0.701198 F\n0.327811 0.656405 0.699023 F\n0.323459 0.325353 0.672317 F\n0.458366 0.181485 0.432017 F\n0.486269 0.498418 0.931572 F\n0.492340 0.832342 0.442232 F\n0.507660 0.167658 0.942232 F\n0.513731 0.501582 0.431572 F\n0.541634 0.818515 0.932017 F\n0.676541 0.674647 0.172317 F\n0.672189 0.343595 0.199023 F\n0.674058 0.007879 0.201198 F\n0.825942 0.507879 0.701198 F\n0.827811 0.843595 0.699023 F\n0.823459 0.174647 0.672317 F\n0.958366 0.318515 0.432017 F\n0.986269 0.001582 0.931572 F\n0.992340 0.667658 0.442232 F\n","nsites":40,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.180526507250842,"density_atomic":0.08056234879724242,"volume":496.5098535132229,"volume_molar":7.475130566459023,"formula_full":"Li8 Mn8 F24","formula_reduced":"LiMnF3","formula_anonymous":"ABC3","energy":-255.24804417,"energy_per_atom":-6.38120110425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-230.81604417,"band_gap":3.4757,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":40.0073808,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.786000Z","spacegroup":33}]}