{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=30","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=28","results":[{"id":"mp-974757","created_at":"2022-09-04T14:40:14.143519Z","structure_string":"K4 Be4 H12\n1.0\n5.497438 0.000000 0.000000\n0.000000 6.861258 0.000000\n0.000000 2.476452 8.698569\nK Be H\n4 4 12\ndirect\n0.248592 0.769076 0.698215 K\n0.748592 0.230924 0.801785 K\n0.251408 0.769076 0.198215 K\n0.751408 0.230924 0.301785 K\n0.255941 0.245890 0.502971 Be\n0.755941 0.754110 0.997029 Be\n0.244059 0.245890 0.002971 Be\n0.744059 0.754110 0.497029 Be\n0.027162 0.182778 0.566472 H\n0.467079 0.161144 0.580526 H\n0.725941 0.624333 0.646142 H\n0.225941 0.375667 0.853858 H\n0.967079 0.838856 0.919474 H\n0.527162 0.817222 0.933528 H\n0.472838 0.182778 0.066472 H\n0.032921 0.161144 0.080526 H\n0.774059 0.624333 0.146142 H\n0.274059 0.375667 0.353858 H\n0.532921 0.838856 0.419474 H\n0.972838 0.817222 0.433528 H\n","nsites":20,"nelements":3,"elements":["K","Be","H"],"chemical_system":"Be-H-K","density":1.035164852651831,"density_atomic":0.06095622909478935,"volume":328.1042855997409,"volume_molar":9.879450959204402,"formula_full":"K4 Be4 H12","formula_reduced":"KBeH3","formula_anonymous":"ABC3","energy":-64.17594896,"energy_per_atom":-3.208797448,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.02794896,"band_gap":3.0876,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.284000Z","spacegroup":14},{"id":"mp-570607","created_at":"2022-09-04T14:40:16.961385Z","structure_string":"Dy20 C8 I36\n1.0\n17.456516 0.000000 0.000000\n0.000000 10.924814 0.000000\n0.000000 7.495562 12.156155\nDy C I\n20 8 36\ndirect\n0.446584 0.512877 0.747490 Dy\n0.179031 0.301777 0.553857 Dy\n0.654948 0.516894 0.783795 Dy\n0.539391 0.349744 0.033742 Dy\n0.946584 0.487123 0.752510 Dy\n0.820969 0.698223 0.446143 Dy\n0.039391 0.650256 0.466258 Dy\n0.460609 0.650256 0.966258 Dy\n0.057659 0.162542 0.800549 Dy\n0.679031 0.698223 0.946143 Dy\n0.442341 0.162542 0.300549 Dy\n0.845052 0.516894 0.283795 Dy\n0.154948 0.483106 0.716205 Dy\n0.557659 0.837458 0.699451 Dy\n0.942341 0.837458 0.199451 Dy\n0.553416 0.487123 0.252510 Dy\n0.320969 0.301777 0.053857 Dy\n0.345052 0.483106 0.216205 Dy\n0.960609 0.349744 0.533742 Dy\n0.053416 0.512877 0.247490 Dy\n0.469566 0.430415 0.162599 C\n0.084288 0.377331 0.616648 C\n0.530434 0.569585 0.837401 C\n0.584288 0.622669 0.883352 C\n0.030434 0.430415 0.662599 C\n0.415712 0.377331 0.116648 C\n0.969566 0.569585 0.337401 C\n0.915712 0.622669 0.383352 C\n0.434796 0.588999 0.345178 I\n0.180775 0.004549 0.749696 I\n0.058459 0.815821 0.043127 I\n0.807129 0.594015 0.857924 I\n0.303058 0.594954 0.832654 I\n0.692871 0.594015 0.357924 I\n0.682955 0.799464 0.560523 I\n0.433791 0.201490 0.943756 I\n0.317045 0.200536 0.439477 I\n0.192871 0.405985 0.142076 I\n0.441541 0.815821 0.543127 I\n0.196942 0.594954 0.332654 I\n0.826617 0.219081 0.466479 I\n0.803058 0.405046 0.667346 I\n0.673383 0.219081 0.966479 I\n0.941541 0.184179 0.956873 I\n0.937363 0.036258 0.734290 I\n0.934796 0.411001 0.154822 I\n0.062637 0.963742 0.265710 I\n0.173383 0.780919 0.533521 I\n0.562637 0.036258 0.234290 I\n0.817045 0.799464 0.060523 I\n0.326617 0.780919 0.033521 I\n0.307129 0.405985 0.642076 I\n0.182955 0.200536 0.939477 I\n0.565204 0.411001 0.654822 I\n0.319225 0.004549 0.249696 I\n0.558459 0.184179 0.456873 I\n0.566209 0.798510 0.056244 I\n0.933791 0.798510 0.556244 I\n0.680775 0.995451 0.750304 I\n0.066209 0.201490 0.443756 I\n0.065204 0.588999 0.845178 I\n0.819225 0.995451 0.250304 I\n0.437363 0.963742 0.765710 I\n0.696942 0.405046 0.167346 I\n","nsites":64,"nelements":3,"elements":["Dy","C","I"],"chemical_system":"C-Dy-I","density":5.669082398394276,"density_atomic":0.02760654913591611,"volume":2318.2904782813303,"volume_molar":21.814174348090457,"formula_full":"Dy20 C8 I36","formula_reduced":"Dy5C2I9","formula_anonymous":"A2B5C9","energy":-312.5232226,"energy_per_atom":-4.883175353125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-298.8792226,"band_gap":1.4272,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.00233,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.642000Z","spacegroup":14},{"id":"mp-541240","created_at":"2022-09-04T14:40:17.100514Z","structure_string":"Sb12 O8 F20\n1.0\n6.087159 0.000000 0.000000\n0.000000 9.355135 0.000000\n0.000000 4.363655 12.733931\nSb O F\n12 8 20\ndirect\n0.944097 0.750000 0.000000 Sb\n0.055903 0.250000 0.000000 Sb\n0.566632 0.884711 0.208768 Sb\n0.566632 0.615289 0.791232 Sb\n0.433368 0.115289 0.791232 Sb\n0.433368 0.384711 0.208768 Sb\n0.624230 0.750000 0.500000 Sb\n0.375770 0.250000 0.500000 Sb\n0.956754 0.588374 0.362479 Sb\n0.956754 0.911626 0.637521 Sb\n0.043246 0.411626 0.637521 Sb\n0.043246 0.088374 0.362479 Sb\n0.739550 0.780989 0.339002 O\n0.739550 0.719011 0.660998 O\n0.260450 0.219011 0.660998 O\n0.260450 0.280989 0.339002 O\n0.839005 0.921250 0.492046 O\n0.839005 0.578750 0.507954 O\n0.160995 0.078750 0.507954 O\n0.160995 0.421250 0.492046 O\n0.197222 0.733115 0.359991 F\n0.197222 0.766885 0.640009 F\n0.802778 0.266885 0.640009 F\n0.802778 0.233115 0.359991 F\n0.727269 0.914814 0.957182 F\n0.727269 0.585186 0.042818 F\n0.272731 0.085186 0.042818 F\n0.272731 0.414814 0.957182 F\n0.549198 0.508894 0.295756 F\n0.549198 0.991106 0.704244 F\n0.450802 0.491106 0.704244 F\n0.450802 0.008894 0.295756 F\n0.862290 0.768922 0.149719 F\n0.862290 0.731078 0.850281 F\n0.137710 0.231078 0.850281 F\n0.137710 0.268922 0.149719 F\n0.225531 0.945214 0.843831 F\n0.225531 0.554786 0.156169 F\n0.774469 0.054786 0.156169 F\n0.774469 0.445214 0.843831 F\n","nsites":40,"nelements":3,"elements":["Sb","O","F"],"chemical_system":"F-O-Sb","density":4.509059656690215,"density_atomic":0.05516108425409817,"volume":725.1489078013947,"volume_molar":10.917371986850654,"formula_full":"Sb12 O8 F20","formula_reduced":"Sb3O2F5","formula_anonymous":"A2B3C5","energy":-223.5373317,"energy_per_atom":-5.5884332925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-208.8013317,"band_gap":3.6549,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.296000Z","spacegroup":13},{"id":"mp-571246","created_at":"2022-09-04T14:40:17.105777Z","structure_string":"Ge8 Br32\n1.0\n12.073757 0.000000 0.000000\n0.000000 12.073757 0.000000\n0.000000 0.000000 12.073757\nGe Br\n8 32\ndirect\n0.868472 0.631528 0.368472 Ge\n0.131528 0.368472 0.631528 Ge\n0.368472 0.868472 0.631528 Ge\n0.631528 0.368472 0.868472 Ge\n0.631528 0.131528 0.368472 Ge\n0.368472 0.631528 0.131528 Ge\n0.131528 0.131528 0.131528 Ge\n0.868472 0.868472 0.868472 Ge\n0.485761 0.757998 0.528502 Br\n0.242002 0.028502 0.014239 Br\n0.757998 0.528502 0.485761 Br\n0.242002 0.471498 0.514239 Br\n0.471498 0.985761 0.742002 Br\n0.014239 0.242002 0.028502 Br\n0.514239 0.242002 0.471498 Br\n0.742002 0.471498 0.985761 Br\n0.258332 0.758332 0.741668 Br\n0.028502 0.485761 0.742002 Br\n0.528502 0.485761 0.757998 Br\n0.971498 0.985761 0.757998 Br\n0.758332 0.758332 0.758332 Br\n0.971498 0.514239 0.257998 Br\n0.241668 0.241668 0.241668 Br\n0.528502 0.014239 0.257998 Br\n0.985761 0.742002 0.471498 Br\n0.028502 0.014239 0.242002 Br\n0.741668 0.258332 0.758332 Br\n0.514239 0.257998 0.971498 Br\n0.758332 0.741668 0.258332 Br\n0.257998 0.971498 0.514239 Br\n0.742002 0.028502 0.485761 Br\n0.741668 0.241668 0.258332 Br\n0.985761 0.757998 0.971498 Br\n0.257998 0.528502 0.014239 Br\n0.757998 0.971498 0.985761 Br\n0.471498 0.514239 0.242002 Br\n0.241668 0.258332 0.741668 Br\n0.258332 0.741668 0.241668 Br\n0.485761 0.742002 0.028502 Br\n0.014239 0.257998 0.528502 Br\n","nsites":40,"nelements":2,"elements":["Ge","Br"],"chemical_system":"Br-Ge","density":2.960611264422317,"density_atomic":0.022726507403524956,"volume":1760.059268666855,"volume_molar":26.498311654636144,"formula_full":"Ge8 Br32","formula_reduced":"GeBr4","formula_anonymous":"AB4","energy":-130.91299727,"energy_per_atom":-3.27282493175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.82499726999998,"band_gap":3.0485,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.630000Z","spacegroup":205},{"id":"mp-1026916","created_at":"2022-09-04T14:40:17.150211Z","structure_string":"Mo4 Se4 S4\n1.0\n1.628239 -2.820193 0.000000\n1.628239 2.820193 0.000000\n0.000000 0.000000 36.821553\nMo Se S\n4 4 4\ndirect\n0.333333 0.666667 0.718184 Mo\n0.333333 0.666667 0.093916 Mo\n0.666667 0.333333 0.906084 Mo\n0.666667 0.333333 0.281816 Mo\n0.333333 0.666667 0.327957 Se\n0.666667 0.333333 0.672043 Se\n0.666667 0.333333 0.764320 Se\n0.333333 0.666667 0.235680 Se\n0.333333 0.666667 0.948005 S\n0.666667 0.333333 0.051995 S\n0.666667 0.333333 0.135855 S\n0.333333 0.666667 0.864145 S\n","nsites":12,"nelements":3,"elements":["Mo","Se","S"],"chemical_system":"Mo-S-Se","density":4.065153191865239,"density_atomic":0.03548560105452976,"volume":338.1653302577551,"volume_molar":16.97066015803407,"formula_full":"Mo4 Se4 S4","formula_reduced":"MoSeS","formula_anonymous":"ABC","energy":-86.88472008000001,"energy_per_atom":-7.240393340000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.98472008,"band_gap":0.6715999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010991,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.867000Z","spacegroup":164},{"id":"mp-1198032","created_at":"2022-09-04T14:40:14.553108Z","structure_string":"Cs4 Br8 F28\n1.0\n7.925172 0.000000 0.000000\n0.000000 8.336944 0.000000\n-7.792556 0.000000 12.346371\nCs Br F\n4 8 28\ndirect\n0.878563 0.918225 0.309163 Cs\n0.121437 0.418225 0.190837 Cs\n0.121437 0.081775 0.690837 Cs\n0.878563 0.581775 0.809163 Cs\n0.240162 0.922693 0.120694 Br\n0.759838 0.422693 0.379306 Br\n0.759838 0.077307 0.879306 Br\n0.240162 0.577307 0.620694 Br\n0.517734 0.722643 0.983004 Br\n0.482266 0.222643 0.516996 Br\n0.482266 0.277357 0.016996 Br\n0.517734 0.777357 0.483004 Br\n0.383160 0.108967 0.198011 F\n0.616840 0.608967 0.301989 F\n0.616840 0.891033 0.801989 F\n0.383160 0.391033 0.698011 F\n0.087702 0.735002 0.045118 F\n0.912298 0.235002 0.454882 F\n0.912298 0.264998 0.954882 F\n0.087702 0.764998 0.545118 F\n0.051560 0.972825 0.153326 F\n0.948440 0.472825 0.346674 F\n0.948440 0.027175 0.846674 F\n0.051560 0.527175 0.653326 F\n0.461834 0.878372 0.081984 F\n0.538166 0.378372 0.418016 F\n0.538166 0.121628 0.918016 F\n0.461834 0.621628 0.581984 F\n0.274547 0.774824 0.850373 F\n0.725453 0.274824 0.649627 F\n0.725453 0.225176 0.149627 F\n0.274547 0.725176 0.350373 F\n0.582839 0.589914 0.906329 F\n0.417161 0.089914 0.593671 F\n0.417161 0.410086 0.093671 F\n0.582839 0.910086 0.406329 F\n0.762853 0.660618 0.110106 F\n0.237147 0.160618 0.389894 F\n0.237147 0.339382 0.889894 F\n0.762853 0.839382 0.610106 F\n","nsites":40,"nelements":3,"elements":["Cs","Br","F"],"chemical_system":"Br-Cs-F","density":3.4662521766540695,"density_atomic":0.04903487668466255,"volume":815.7459079021496,"volume_molar":12.281341704451853,"formula_full":"Cs4 Br8 F28","formula_reduced":"CsBr2F7","formula_anonymous":"AB2C7","energy":-138.12306843,"energy_per_atom":-3.4530767107499996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.18706843,"band_gap":2.5583,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0692833,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.568000Z","spacegroup":14},{"id":"mp-757968","created_at":"2022-09-04T14:40:13.665921Z","structure_string":"Li8 Ti4 Co12 O32\n1.0\n8.139315 0.000000 0.000000\n0.000000 8.139315 0.000000\n0.000000 0.000000 8.139315\nLi Ti Co O\n8 4 12 32\ndirect\n0.995093 0.995093 0.995093 Li\n0.254907 0.254907 0.254907 Li\n0.245093 0.745093 0.754907 Li\n0.504907 0.004907 0.495093 Li\n0.495093 0.504907 0.004907 Li\n0.754907 0.245093 0.745093 Li\n0.745093 0.754907 0.245093 Li\n0.004907 0.495093 0.504907 Li\n0.125000 0.875000 0.375000 Ti\n0.375000 0.125000 0.875000 Ti\n0.625000 0.625000 0.625000 Ti\n0.875000 0.375000 0.125000 Ti\n0.125878 0.124122 0.625000 Co\n0.125000 0.374122 0.875878 Co\n0.124122 0.625000 0.125878 Co\n0.375878 0.375000 0.625878 Co\n0.375000 0.625878 0.375878 Co\n0.374122 0.875878 0.125000 Co\n0.625878 0.375878 0.375000 Co\n0.625000 0.125878 0.124122 Co\n0.624122 0.875000 0.874122 Co\n0.875878 0.125000 0.374122 Co\n0.875000 0.874122 0.624122 Co\n0.874122 0.624122 0.875000 Co\n0.111677 0.117118 0.389051 O\n0.110949 0.888323 0.617118 O\n0.108450 0.608450 0.891550 O\n0.132882 0.138323 0.860949 O\n0.117118 0.389051 0.111677 O\n0.141550 0.358450 0.641550 O\n0.139051 0.632882 0.361677 O\n0.138323 0.860949 0.132882 O\n0.361677 0.139051 0.632882 O\n0.360949 0.367118 0.861677 O\n0.358450 0.641550 0.141550 O\n0.382882 0.610949 0.611677 O\n0.367118 0.861677 0.360949 O\n0.391550 0.391550 0.391550 O\n0.389051 0.111677 0.117118 O\n0.388323 0.882882 0.889051 O\n0.611677 0.382882 0.610949 O\n0.610949 0.611677 0.382882 O\n0.608450 0.891550 0.108450 O\n0.632882 0.361677 0.139051 O\n0.617118 0.110949 0.888323 O\n0.641550 0.141550 0.358450 O\n0.639051 0.867118 0.638323 O\n0.638323 0.639051 0.867118 O\n0.861677 0.360949 0.367118 O\n0.860949 0.132882 0.138323 O\n0.858450 0.858450 0.858450 O\n0.882882 0.889051 0.388323 O\n0.867118 0.638323 0.639051 O\n0.891550 0.108450 0.608450 O\n0.889051 0.388323 0.882882 O\n0.888323 0.617118 0.110949 O\n","nsites":56,"nelements":4,"elements":["Li","Ti","Co","O"],"chemical_system":"Co-Li-O-Ti","density":4.515141649203325,"density_atomic":0.10385429397236279,"volume":539.216991980153,"volume_molar":5.798643974800487,"formula_full":"Li8 Ti4 Co12 O32","formula_reduced":"Li2TiCo3O8","formula_anonymous":"AB2C3D8","energy":-401.34871182,"energy_per_atom":-7.1669412825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-359.70871182,"band_gap":0.0277000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0006812,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.894000Z","spacegroup":212},{"id":"mp-1522393","created_at":"2022-09-04T14:40:17.226033Z","structure_string":"Ba1 Sr1 Ce1 Hf1 O6\n1.0\n0.000000 -4.312802 -4.312802\n4.312802 0.000000 -4.312802\n4.312802 -4.312802 0.000000\nBa Sr Ce Hf O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Hf\n0.741350 0.258650 0.258650 O\n0.258650 0.741350 0.741350 O\n0.741350 0.258650 0.741350 O\n0.258650 0.741350 0.258650 O\n0.741350 0.741350 0.258650 O\n0.258650 0.258650 0.741350 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Ce","Hf","O"],"chemical_system":"Ba-Ce-Hf-O-Sr","density":6.619339206516272,"density_atomic":0.06232918435011175,"volume":160.43848646933355,"volume_molar":9.661831488396821,"formula_full":"Ba1 Sr1 Ce1 Hf1 O6","formula_reduced":"BaSrCeHfO6","formula_anonymous":"ABCDE6","energy":-85.5123571,"energy_per_atom":-8.55123571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.3903571,"band_gap":2.3501000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.397000Z","spacegroup":216},{"id":"mp-1203179","created_at":"2022-09-04T14:40:17.354830Z","structure_string":"Pb12 I24\n1.0\n2.330731 -4.036945 0.000000\n2.330731 4.036945 0.000000\n0.000000 0.000000 86.883545\nPb I\n12 24\ndirect\n0.666667 0.333333 0.979165 Pb\n0.666667 0.333333 0.895846 Pb\n0.666667 0.333333 0.812521 Pb\n0.666667 0.333333 0.729155 Pb\n0.666667 0.333333 0.645823 Pb\n0.666667 0.333333 0.562536 Pb\n0.333333 0.666667 0.479175 Pb\n0.333333 0.666667 0.395825 Pb\n0.666667 0.333333 0.312495 Pb\n0.666667 0.333333 0.229148 Pb\n0.333333 0.666667 0.145846 Pb\n0.333333 0.666667 0.062516 Pb\n0.333333 0.666667 0.000866 I\n0.000000 0.000000 0.957460 I\n0.333333 0.666667 0.917552 I\n0.000000 0.000000 0.874113 I\n0.333333 0.666667 0.834196 I\n0.000000 0.000000 0.790777 I\n0.333333 0.666667 0.750895 I\n0.000000 0.000000 0.707444 I\n0.333333 0.666667 0.667517 I\n0.000000 0.000000 0.624162 I\n0.333333 0.666667 0.584211 I\n0.000000 0.000000 0.540789 I\n0.666667 0.333333 0.500851 I\n0.000000 0.000000 0.457471 I\n0.666667 0.333333 0.417538 I\n0.000000 0.000000 0.374136 I\n0.333333 0.666667 0.334194 I\n0.000000 0.000000 0.290796 I\n0.333333 0.666667 0.250884 I\n0.000000 0.000000 0.207453 I\n0.666667 0.333333 0.167512 I\n0.000000 0.000000 0.124135 I\n0.666667 0.333333 0.084170 I\n0.000000 0.000000 0.040825 I\n","nsites":36,"nelements":2,"elements":["Pb","I"],"chemical_system":"I-Pb","density":5.618587874164508,"density_atomic":0.022018614473511604,"volume":1634.980259239654,"volume_molar":27.350225724895797,"formula_full":"Pb12 I24","formula_reduced":"PbI2","formula_anonymous":"AB2","energy":-114.10941116,"energy_per_atom":-3.1697058655555552,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.01341116,"band_gap":2.2966999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0020569,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.340000Z","spacegroup":156},{"id":"mp-1033978","created_at":"2022-09-04T14:40:17.333031Z","structure_string":"K1 Rb1 Mg14 O15\n1.0\n8.602220 0.000000 0.000000\n0.000000 8.941342 0.000000\n0.000000 0.000000 4.483661\nK Rb Mg O\n1 1 14 15\ndirect\n0.982403 0.000000 0.000000 K\n0.110464 0.500000 0.000000 Rb\n0.496056 0.000000 0.000000 Mg\n0.518809 0.500000 0.000000 Mg\n0.995843 0.249075 0.500000 Mg\n0.995843 0.750925 0.500000 Mg\n0.495903 0.254589 0.500000 Mg\n0.495903 0.745411 0.500000 Mg\n0.246666 0.000000 0.500000 Mg\n0.253416 0.500000 0.500000 Mg\n0.740189 0.000000 0.500000 Mg\n0.769213 0.500000 0.500000 Mg\n0.240658 0.215922 -0.000000 Mg\n0.240658 0.784078 0.000000 Mg\n0.758529 0.261376 0.000000 Mg\n0.758529 0.738624 0.000000 Mg\n0.271166 0.000000 0.000000 O\n0.714438 0.000000 0.000000 O\n0.741747 0.500000 0.000000 O\n0.246383 0.260400 0.500000 O\n0.246383 0.739600 0.500000 O\n0.744032 0.252527 0.500000 O\n0.744032 0.747473 0.500000 O\n0.011364 0.000000 0.500000 O\n0.004437 0.500000 0.500000 O\n0.490024 0.000000 0.500000 O\n0.484182 0.500000 0.500000 O\n0.999216 0.258997 0.000000 O\n0.999216 0.741003 -0.000000 O\n0.477149 0.270251 0.000000 O\n0.477149 0.729749 0.000000 O\n","nsites":31,"nelements":4,"elements":["K","Rb","Mg","O"],"chemical_system":"K-Mg-O-Rb","density":3.393795506776954,"density_atomic":0.08989088842432519,"volume":344.86253883337025,"volume_molar":6.699389521630716,"formula_full":"K1 Rb1 Mg14 O15","formula_reduced":"KRbMg14O15","formula_anonymous":"ABC14D15","energy":-177.58984015,"energy_per_atom":-5.728704520967741,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.28484015,"band_gap":3.2808,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.060000Z","spacegroup":25},{"id":"mp-1046414","created_at":"2022-09-04T14:40:17.486400Z","structure_string":"Sr2 Mg2 Cr2 P4 O16\n1.0\n5.544207 -0.039596 -1.135800\n-1.486221 6.254638 -2.358553\n-0.106489 0.049680 9.374285\nSr Mg Cr P O\n2 2 2 4 16\ndirect\n0.257131 0.802462 0.054569 Sr\n0.742869 0.197538 0.945431 Sr\n0.992728 0.391998 0.648435 Mg\n0.007272 0.608002 0.351565 Mg\n0.640968 0.843557 0.548462 Cr\n0.359032 0.156443 0.451538 Cr\n0.390820 0.423442 0.235185 P\n0.609180 0.576558 0.764815 P\n0.837700 0.022818 0.298256 P\n0.162300 0.977182 0.701744 P\n0.820541 0.555247 0.889962 O\n0.653301 0.477708 0.212764 O\n0.661529 0.802297 0.760165 O\n0.953245 0.107883 0.687791 O\n0.346699 0.522292 0.787236 O\n0.036040 0.740897 0.585728 O\n0.963960 0.259103 0.414272 O\n0.261699 0.002144 0.872776 O\n0.338471 0.197703 0.239835 O\n0.738301 0.997856 0.127224 O\n0.179459 0.444753 0.110038 O\n0.366838 0.584072 0.395242 O\n0.633162 0.415928 0.604758 O\n0.621354 0.928929 0.353199 O\n0.046755 0.892117 0.312209 O\n0.378646 0.071070 0.646801 O\n","nsites":26,"nelements":5,"elements":["Sr","Mg","Cr","P","O"],"chemical_system":"Cr-Mg-O-P-Sr","density":3.621739699390511,"density_atomic":0.08012634305153254,"volume":324.4875406740868,"volume_molar":7.5158063261752925,"formula_full":"Sr2 Mg2 Cr2 P4 O16","formula_reduced":"SrMgCr(PO4)2","formula_anonymous":"ABCD2E8","energy":-203.09811054,"energy_per_atom":-7.81146579,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.10811054,"band_gap":2.8341000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.000261,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.615000Z","spacegroup":2},{"id":"mp-1031034","created_at":"2022-09-04T14:40:21.523616Z","structure_string":"Li1 Mg6 Cr1 O8\n1.0\n8.567206 0.000000 0.000000\n0.000000 4.204381 0.000000\n0.000000 0.000000 4.204381\nLi Mg Cr O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246015 0.000000 0.500000 Mg\n0.753985 0.000000 0.500000 Mg\n0.246015 0.500000 0.000000 Mg\n0.753985 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Cr\n0.256885 0.000000 0.000000 O\n0.743115 0.000000 0.000000 O\n0.238633 0.500000 0.500000 O\n0.761367 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Li","Mg","Cr","O"],"chemical_system":"Cr-Li-Mg-O","density":3.6487144410937886,"density_atomic":0.10565173742292296,"volume":151.44095487944645,"volume_molar":5.6999921694552205,"formula_full":"Li1 Mg6 Cr1 O8","formula_reduced":"LiMg6CrO8","formula_anonymous":"ABC6D8","energy":-106.3182033,"energy_per_atom":-6.64488770625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.8232033,"band_gap":1.5545,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.622000Z","spacegroup":123}]}