{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=10245","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=10243","results":[{"id":"mp-567579","created_at":"2022-09-04T14:42:49.565536Z","structure_string":"Ce8 Si16 Pt28\n1.0\n4.050594 0.000000 0.000000\n0.000000 11.315288 0.000000\n0.000000 0.000000 19.810631\nCe Si Pt\n8 16 28\ndirect\n0.250000 0.978757 0.717631 Ce\n0.250000 0.521243 0.217631 Ce\n0.750000 0.478757 0.782369 Ce\n0.750000 0.243126 0.471076 Ce\n0.250000 0.743126 0.028924 Ce\n0.250000 0.756874 0.528924 Ce\n0.750000 0.256874 0.971076 Ce\n0.750000 0.021243 0.282369 Ce\n0.250000 0.799535 0.245170 Si\n0.750000 0.575224 0.586508 Si\n0.250000 0.424776 0.413492 Si\n0.750000 0.200465 0.754830 Si\n0.750000 0.747969 0.905525 Si\n0.250000 0.061414 0.414692 Si\n0.250000 0.247969 0.594475 Si\n0.250000 0.438586 0.914692 Si\n0.750000 0.938585 0.585308 Si\n0.750000 0.752031 0.405525 Si\n0.750000 0.561415 0.085308 Si\n0.250000 0.252031 0.094475 Si\n0.750000 0.299535 0.254830 Si\n0.250000 0.075224 0.913492 Si\n0.750000 0.924776 0.086508 Si\n0.250000 0.700465 0.745170 Si\n0.250000 0.259408 0.851054 Pt\n0.250000 0.628959 0.863439 Pt\n0.750000 0.442124 0.341268 Pt\n0.750000 0.806188 0.784884 Pt\n0.250000 0.621290 0.371841 Pt\n0.250000 0.878710 0.871841 Pt\n0.250000 0.240592 0.351054 Pt\n0.750000 0.057876 0.841268 Pt\n0.250000 0.434002 0.532778 Pt\n0.250000 0.065998 0.032778 Pt\n0.750000 0.550812 0.958665 Pt\n0.750000 0.949188 0.458665 Pt\n0.750000 0.378710 0.628159 Pt\n0.250000 0.557876 0.658732 Pt\n0.250000 0.871041 0.363439 Pt\n0.750000 0.565998 0.467222 Pt\n0.250000 0.193812 0.215116 Pt\n0.250000 0.306188 0.715116 Pt\n0.750000 0.740592 0.148946 Pt\n0.250000 0.942124 0.158732 Pt\n0.750000 0.121290 0.128159 Pt\n0.750000 0.934002 0.967222 Pt\n0.750000 0.759408 0.648946 Pt\n0.750000 0.371041 0.136561 Pt\n0.250000 0.050812 0.541335 Pt\n0.750000 0.128959 0.636561 Pt\n0.750000 0.693812 0.284884 Pt\n0.250000 0.449188 0.041335 Pt\n","nsites":52,"nelements":3,"elements":["Ce","Si","Pt"],"chemical_system":"Ce-Pt-Si","density":12.861314018528464,"density_atomic":0.05726914608914156,"volume":907.9932834874132,"volume_molar":10.515506465953434,"formula_full":"Ce8 Si16 Pt28","formula_reduced":"Ce2Si4Pt7","formula_anonymous":"A2B4C7","energy":-355.75149935,"energy_per_atom":-6.8413749875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.75149935,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.179149,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.299000Z","spacegroup":62},{"id":"mp-1246162","created_at":"2022-09-04T14:42:49.718595Z","structure_string":"Sr6 Ni4 N8\n1.0\n7.025636 -0.023735 -0.176071\n-5.359690 6.849037 0.000000\n-0.229480 -0.179579 5.692865\nSr Ni N\n6 4 8\ndirect\n0.255861 0.996055 0.066564 Sr\n0.744139 0.740193 0.433436 Sr\n0.744139 0.003945 0.933436 Sr\n0.255861 0.259807 0.566564 Sr\n0.000000 0.597997 0.750000 Sr\n0.000000 0.402003 0.250000 Sr\n0.587977 0.166451 0.579649 Ni\n0.412023 0.578474 0.920351 Ni\n0.412023 0.833549 0.420351 Ni\n0.587977 0.421526 0.079649 Ni\n0.248097 0.937629 0.525808 N\n0.751903 0.689532 0.974192 N\n0.751903 0.062371 0.474192 N\n0.248097 0.310468 0.025808 N\n0.654676 0.267331 0.896817 N\n0.345324 0.612656 0.603183 N\n0.345324 0.732669 0.103183 N\n0.654676 0.387344 0.396817 N\n","nsites":18,"nelements":3,"elements":["Sr","Ni","N"],"chemical_system":"N-Ni-Sr","density":5.311919836232964,"density_atomic":0.06599119468520954,"volume":272.76366318057126,"volume_molar":9.125673188259052,"formula_full":"Sr6 Ni4 N8","formula_reduced":"Sr3(NiN2)2","formula_anonymous":"A2B3C4","energy":-106.39647724,"energy_per_atom":-5.910915402222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.50847724,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2495176,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.732000Z","spacegroup":15},{"id":"mp-1519054","created_at":"2022-09-04T14:42:49.748890Z","structure_string":"Na1 Nd1 Ti4 O12\n1.0\n5.448763 0.000000 0.000000\n0.000000 5.448763 -0.000000\n0.000000 0.000000 7.886323\nNa Nd Ti O\n1 1 4 12\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 -0.000000 0.000000 Nd\n0.000000 0.500000 0.738395 Ti\n0.000000 0.500000 0.261605 Ti\n0.500000 -0.000000 0.738395 Ti\n0.500000 0.000000 0.261605 Ti\n0.243328 0.243328 0.766806 O\n0.243328 0.243328 0.233194 O\n0.756672 0.756672 0.766806 O\n0.756672 0.756672 0.233194 O\n0.756672 0.243328 0.766806 O\n0.756672 0.243328 0.233194 O\n0.243328 0.756672 0.766806 O\n0.243328 0.756672 0.233194 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n","nsites":18,"nelements":4,"elements":["Na","Nd","Ti","O"],"chemical_system":"Na-Nd-O-Ti","density":3.9056013931763554,"density_atomic":0.07687800561004635,"volume":234.13718731600102,"volume_molar":7.833372773152471,"formula_full":"Na1 Nd1 Ti4 O12","formula_reduced":"NaNdTi4O12","formula_anonymous":"ABC4D12","energy":-149.32532218,"energy_per_atom":-8.295851232222223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.08132218,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.825000Z","spacegroup":123},{"id":"mp-1018715","created_at":"2022-09-04T14:42:50.053730Z","structure_string":"Hf5 Pb1\n1.0\n3.198141 0.000000 0.000000\n0.000000 3.198141 0.000000\n0.000000 0.000000 13.633478\nHf Pb\n5 1\ndirect\n0.500000 0.500000 0.335853 Hf\n0.500000 0.500000 0.664147 Hf\n0.000000 0.000000 0.178852 Hf\n0.000000 0.000000 0.821148 Hf\n0.000000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Pb\n","nsites":6,"nelements":2,"elements":["Hf","Pb"],"chemical_system":"Hf-Pb","density":13.094885345688997,"density_atomic":0.04302782311556539,"volume":139.4446561678248,"volume_molar":13.995922461207385,"formula_full":"Hf5 Pb1","formula_reduced":"Hf5Pb","formula_anonymous":"AB5","energy":-53.278034520000006,"energy_per_atom":-8.87967242,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.278034520000006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0269513,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.861000Z","spacegroup":123},{"id":"mp-1104137","created_at":"2022-09-04T14:42:50.055990Z","structure_string":"Tb1 Nb6 Sn6\n1.0\n2.906914 -5.034923 0.000000\n2.906914 5.034923 0.000000\n0.000000 0.000000 9.606528\nTb Nb Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.750658 Nb\n0.500000 0.500000 0.750658 Nb\n0.500000 0.000000 0.750658 Nb\n0.000000 0.500000 0.249342 Nb\n0.500000 0.500000 0.249342 Nb\n0.500000 0.000000 0.249342 Nb\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n0.000000 0.000000 0.669361 Sn\n0.000000 0.000000 0.330639 Sn\n","nsites":13,"nelements":3,"elements":["Tb","Nb","Sn"],"chemical_system":"Nb-Sn-Tb","density":8.436172693318726,"density_atomic":0.04622978641904972,"volume":281.2039813933283,"volume_molar":13.026538140177264,"formula_full":"Tb1 Nb6 Sn6","formula_reduced":"Tb(NbSn)6","formula_anonymous":"AB6C6","energy":-93.38638767,"energy_per_atom":-7.183568282307693,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.38638767,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0316955,"is_theoretical":false,"updated_at":"2021-11-28T01:35:51.617000Z","spacegroup":191},{"id":"mp-1335878","created_at":"2022-09-04T14:42:50.059453Z","structure_string":"Li25 Ca5 La7 Nb8 O48\n1.0\n11.129803 0.000000 0.000000\n-3.777528 10.668684 0.000000\n-3.563362 -5.410376 9.289649\nLi Ca La Nb O\n25 5 7 8 48\ndirect\n0.243636 0.628224 0.622360 Li\n0.611398 0.230561 0.134125 Li\n0.344795 0.726403 0.809455 Li\n0.353862 0.649183 0.035802 Li\n0.582290 0.904794 0.823382 Li\n0.239654 0.140338 0.155321 Li\n0.258113 0.415864 0.067467 Li\n0.743672 0.884943 0.929512 Li\n0.803039 0.483745 0.364507 Li\n0.111090 0.354309 0.297680 Li\n0.573720 0.279470 0.557462 Li\n0.865802 0.328969 0.256304 Li\n0.648547 0.316239 0.290737 Li\n0.174338 0.431248 0.452851 Li\n0.283179 0.088869 0.977409 Li\n0.406704 0.967808 0.804220 Li\n0.875608 0.753185 0.383043 Li\n0.091752 0.522739 0.136150 Li\n0.844322 0.709726 0.773324 Li\n0.364231 0.144331 0.755270 Li\n0.185448 0.131978 0.715813 Li\n0.620415 0.889022 0.256011 Li\n0.621597 0.721760 0.850392 Li\n0.989014 0.152884 0.692650 Li\n0.222435 0.368675 0.638058 Li\n0.870053 0.249085 0.883586 Ca\n0.342990 0.241488 0.390412 Ca\n0.759862 0.636489 0.130959 Ca\n0.777411 0.170796 0.593172 Ca\n0.407588 0.652284 0.246006 Ca\n0.623301 0.385684 0.767769 La\n0.245590 0.880333 0.382202 La\n0.128936 0.859071 0.755276 La\n0.248907 0.370509 0.861478 La\n0.619199 0.759157 0.605071 La\n0.891864 0.102606 0.253620 La\n0.138702 0.766721 0.133330 La\n0.511449 0.018647 0.003419 Nb\n0.984216 0.983607 0.013684 Nb\n0.975946 0.499995 0.981070 Nb\n0.503865 0.013782 0.501153 Nb\n0.508914 0.474137 0.041269 Nb\n0.991498 0.995253 0.517412 Nb\n0.981226 0.510634 0.529799 Nb\n0.518049 0.524334 0.476923 Nb\n0.298469 0.980858 0.129949 O\n0.406391 0.330261 0.690082 O\n0.668896 0.600055 0.531528 O\n0.022971 0.699049 0.385712 O\n0.479927 0.895384 0.190170 O\n0.190964 0.611246 0.478522 O\n0.879320 0.483124 0.711336 O\n0.029588 0.832274 0.600315 O\n0.392544 0.332517 0.993541 O\n0.657818 0.572100 0.834968 O\n0.073240 0.196088 0.816433 O\n0.622767 0.932333 0.413037 O\n0.625701 0.210120 0.972042 O\n0.390519 0.570483 0.615882 O\n0.307506 0.831214 0.587725 O\n0.085408 0.467994 0.832015 O\n0.881130 0.907007 0.425877 O\n0.827675 0.022197 0.096558 O\n0.186901 0.077629 0.346488 O\n0.907282 0.619736 0.906571 O\n0.577930 0.389568 0.154226 O\n0.814497 0.303262 0.097407 O\n0.524850 0.920662 0.680489 O\n0.109525 0.118666 0.065791 O\n0.911581 0.878799 0.923368 O\n0.472902 0.104300 0.343507 O\n0.157622 0.679450 0.935508 O\n0.417153 0.607829 0.883105 O\n0.063354 0.361410 0.120968 O\n0.785240 0.889101 0.695866 O\n0.180925 0.985054 0.901221 O\n0.107207 0.090049 0.598794 O\n0.903334 0.515308 0.175907 O\n0.692827 0.192357 0.424427 O\n0.611945 0.432718 0.386247 O\n0.401384 0.842751 0.985000 O\n0.384467 0.082326 0.617446 O\n0.924630 0.805403 0.176135 O\n0.589296 0.670071 0.034954 O\n0.321944 0.421504 0.197070 O\n0.960276 0.161177 0.429846 O\n0.162697 0.559029 0.253208 O\n0.785124 0.391894 0.543806 O\n0.491915 0.134749 0.826093 O\n0.981906 0.321569 0.597464 O\n0.340550 0.425066 0.452106 O\n0.594713 0.692412 0.300049 O\n0.699463 0.039466 0.864927 O\n","nsites":93,"nelements":5,"elements":["Li","Ca","La","Nb","O"],"chemical_system":"Ca-La-Li-Nb-O","density":4.301639223186131,"density_atomic":0.08431120852340611,"volume":1103.0561846848839,"volume_molar":7.142752269205298,"formula_full":"Li25 Ca5 La7 Nb8 O48","formula_reduced":"Li25Ca5La7Nb8O48","formula_anonymous":"A5B7C8D25E48","energy":-252.24337075,"energy_per_atom":-2.712294309139785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.92337075,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7334436,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.780000Z","spacegroup":1},{"id":"mp-1213253","created_at":"2022-09-04T14:42:49.577395Z","structure_string":"Dy6 Co30 Si18\n1.0\n0.000000 0.000000 -3.676161\n-7.365215 -12.756927 0.000000\n-7.365215 12.756927 0.000000\nDy Co Si\n6 30 18\ndirect\n0.750000 0.707152 0.101267 Dy\n0.250000 0.292848 0.898733 Dy\n0.750000 0.394115 0.292848 Dy\n0.250000 0.605885 0.707152 Dy\n0.750000 0.898733 0.605885 Dy\n0.250000 0.101267 0.394115 Dy\n0.750000 0.585796 0.852956 Co\n0.250000 0.414204 0.147044 Co\n0.750000 0.267160 0.414204 Co\n0.250000 0.732840 0.585796 Co\n0.750000 0.147044 0.732840 Co\n0.250000 0.852956 0.267160 Co\n0.750000 0.459946 0.534388 Co\n0.250000 0.540054 0.465612 Co\n0.750000 0.074442 0.540054 Co\n0.250000 0.925558 0.459946 Co\n0.750000 0.465612 0.925558 Co\n0.250000 0.534388 0.074442 Co\n0.750000 0.896922 0.030670 Co\n0.250000 0.103078 0.969330 Co\n0.750000 0.133748 0.103078 Co\n0.250000 0.866252 0.896922 Co\n0.750000 0.969330 0.866252 Co\n0.250000 0.030670 0.133748 Co\n0.750000 0.774453 0.347877 Co\n0.250000 0.225547 0.652123 Co\n0.750000 0.573425 0.225547 Co\n0.250000 0.426575 0.774453 Co\n0.750000 0.652123 0.426575 Co\n0.250000 0.347877 0.573425 Co\n0.750000 0.953805 0.221558 Co\n0.250000 0.046195 0.778442 Co\n0.750000 0.267753 0.046195 Co\n0.250000 0.732247 0.953805 Co\n0.750000 0.778442 0.732247 Co\n0.250000 0.221558 0.267753 Co\n0.750000 0.442836 0.682239 Si\n0.250000 0.557164 0.317761 Si\n0.750000 0.239403 0.557164 Si\n0.250000 0.760597 0.442836 Si\n0.750000 0.317761 0.760597 Si\n0.250000 0.682239 0.239403 Si\n0.750000 0.750965 0.871848 Si\n0.250000 0.249035 0.128152 Si\n0.750000 0.120883 0.249035 Si\n0.250000 0.879117 0.750965 Si\n0.750000 0.128152 0.879117 Si\n0.250000 0.871848 0.120883 Si\n0.750000 0.937842 0.370724 Si\n0.250000 0.062158 0.629276 Si\n0.750000 0.432882 0.062158 Si\n0.250000 0.567118 0.937842 Si\n0.750000 0.629276 0.567118 Si\n0.250000 0.370724 0.432882 Si\n","nsites":54,"nelements":3,"elements":["Dy","Co","Si"],"chemical_system":"Co-Dy-Si","density":7.808733644812638,"density_atomic":0.07816957333438077,"volume":690.8058685315807,"volume_molar":7.703944774317099,"formula_full":"Dy6 Co30 Si18","formula_reduced":"DyCo5Si3","formula_anonymous":"AB3C5","energy":-370.48509127,"energy_per_atom":-6.8608350235185185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-371.76309127,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.6222672,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.159000Z","spacegroup":176},{"id":"mp-1185083","created_at":"2022-09-04T14:42:49.581033Z","structure_string":"K1 Y1\n1.0\n3.669761 -0.000654 0.000001\n-1.835448 3.178063 -0.000001\n0.000001 -0.000002 7.167266\nK Y\n1 1\ndirect\n0.666657 0.333342 0.749999 K\n0.333343 0.666661 0.250000 Y\n","nsites":2,"nelements":2,"elements":["K","Y"],"chemical_system":"K-Y","density":2.5431035466277394,"density_atomic":0.023928798449643983,"volume":83.58129657904976,"volume_molar":25.166916645117208,"formula_full":"K1 Y1","formula_reduced":"KY","formula_anonymous":"AB","energy":-6.57777209,"energy_per_atom":-3.288886045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.57777209,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0115529,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.996000Z","spacegroup":187},{"id":"mp-561123","created_at":"2022-09-04T14:42:49.588964Z","structure_string":"U4 Au2 F22\n1.0\n-5.618454 5.618454 3.186442\n5.618454 -5.618454 3.186442\n5.618454 5.618454 -3.186442\nU Au F\n4 2 22\ndirect\n0.644526 0.144526 0.789052 U\n0.855474 0.644526 0.500000 U\n0.144526 0.355474 0.500000 U\n0.355474 0.855474 0.210948 U\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.428304 0.750000 0.678304 F\n0.669353 0.597350 0.266703 F\n0.330647 0.402650 0.733297 F\n0.000000 0.500000 0.500000 F\n0.071696 0.750000 0.321696 F\n0.402650 0.669353 0.072003 F\n0.902650 0.830647 0.733297 F\n0.571696 0.250000 0.321696 F\n0.097350 0.169353 0.266703 F\n0.830647 0.097350 0.927997 F\n0.250000 0.571696 0.321696 F\n0.928304 0.250000 0.678304 F\n0.250000 0.928304 0.678304 F\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.750000 0.428304 0.678304 F\n0.169353 0.902650 0.072003 F\n0.500000 0.000000 0.000000 F\n0.750000 0.071696 0.321696 F\n0.597350 0.330647 0.927997 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n","nsites":28,"nelements":3,"elements":["U","Au","F"],"chemical_system":"Au-F-U","density":7.280335113095542,"density_atomic":0.06959184702491376,"volume":402.34598156269726,"volume_molar":8.653514768539027,"formula_full":"U4 Au2 F22","formula_reduced":"U2AuF11","formula_anonymous":"AB2C11","energy":-185.64650541,"energy_per_atom":-6.630232336071429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.48250541,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.002171,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.938000Z","spacegroup":140},{"id":"mp-755365","created_at":"2022-09-04T14:42:49.591975Z","structure_string":"Li8 Mn4 Sn4 O16\n1.0\n-0.000055 0.000022 -6.042753\n-9.630883 -2.459877 3.021299\n-3.204199 5.123278 -0.000047\nLi Mn Sn O\n8 4 4 16\ndirect\n0.375000 0.250000 0.125000 Li\n0.125000 0.750000 0.875000 Li\n0.875000 0.250000 0.625000 Li\n0.625000 0.750000 0.375000 Li\n0.500000 0.999999 0.000000 Li\n0.250000 0.499999 0.750000 Li\n0.000000 0.999999 0.500000 Li\n0.750000 0.499999 0.250000 Li\n0.500000 0.999999 0.500002 Mn\n0.250000 0.500002 0.249999 Mn\n0.750000 0.500002 0.750001 Mn\n0.000001 0.000005 0.999997 Mn\n0.375000 0.250000 0.625002 Sn\n0.124998 0.750000 0.375000 Sn\n0.875000 0.250000 0.124998 Sn\n0.625002 0.750000 0.875000 Sn\n0.483036 0.466079 0.516962 O\n0.233038 0.966079 0.266964 O\n0.983038 0.466079 0.016964 O\n0.733036 0.966079 0.766962 O\n0.266964 0.033921 0.733036 O\n0.016964 0.533921 0.483036 O\n0.766962 0.033921 0.233038 O\n0.516962 0.533921 0.983038 O\n0.627924 0.255856 0.872076 O\n0.377925 0.755857 0.622075 O\n0.127925 0.255857 0.372075 O\n0.877924 0.755856 0.122076 O\n0.122075 0.244143 0.877925 O\n0.872075 0.744143 0.627925 O\n0.622075 0.244143 0.377925 O\n0.372075 0.744143 0.127925 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Sn","O"],"chemical_system":"Li-Mn-O-Sn","density":4.83152011824939,"density_atomic":0.09254201619682689,"volume":345.7888785558708,"volume_molar":6.507466562206249,"formula_full":"Li8 Mn4 Sn4 O16","formula_reduced":"Li2MnSnO4","formula_anonymous":"ABC2D4","energy":-215.58186962,"energy_per_atom":-6.736933425625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.91786962,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.419000Z","spacegroup":119},{"id":"mp-31253","created_at":"2022-09-04T14:42:49.606249Z","structure_string":"Ga12 Ir6\n1.0\n1.968680 -6.570106 0.000000\n1.968680 6.570106 0.000000\n0.000000 0.000000 11.007190\nGa Ir\n12 6\ndirect\n0.558761 0.441239 0.605853 Ga\n0.441239 0.558761 0.394147 Ga\n0.441239 0.558761 0.105853 Ga\n0.558761 0.441239 0.894147 Ga\n0.178488 0.821512 0.517642 Ga\n0.821512 0.178488 0.482358 Ga\n0.766254 0.233746 0.750000 Ga\n0.233746 0.766254 0.250000 Ga\n0.959595 0.040405 0.750000 Ga\n0.040405 0.959595 0.250000 Ga\n0.178488 0.821512 0.982358 Ga\n0.821512 0.178488 0.017642 Ga\n0.359705 0.640295 0.622814 Ir\n0.640295 0.359705 0.377186 Ir\n0.640295 0.359705 0.122814 Ir\n0.359705 0.640295 0.877186 Ir\n0.851316 0.148684 0.250000 Ir\n0.148684 0.851316 0.750000 Ir\n","nsites":18,"nelements":2,"elements":["Ga","Ir"],"chemical_system":"Ga-Ir","density":11.604953595354269,"density_atomic":0.06321476687659718,"volume":284.74359535546756,"volume_molar":9.526477842995044,"formula_full":"Ga12 Ir6","formula_reduced":"Ga2Ir","formula_anonymous":"AB2","energy":-97.48344711,"energy_per_atom":-5.415747061666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.48344711,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0045906,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.059000Z","spacegroup":63},{"id":"mp-1208217","created_at":"2022-09-04T14:42:49.609691Z","structure_string":"Ti6 As6 Ru6\n1.0\n-3.278661 3.678881 5.650042\n3.278661 -3.678881 5.650042\n3.278661 3.678881 -5.650042\nTi As Ru\n6 6 6\ndirect\n0.466780 0.247426 0.280646 Ti\n0.533220 0.813866 0.780646 Ti\n0.749478 0.664618 0.415139 Ti\n0.250522 0.665661 0.915139 Ti\n0.054897 0.846102 0.291205 Ti\n0.945103 0.236308 0.791205 Ti\n0.835531 0.579348 0.748211 As\n0.164469 0.912679 0.743817 As\n0.668862 0.912679 0.248211 As\n0.331138 0.579348 0.243817 As\n0.282790 0.283775 0.500985 As\n0.717210 0.218195 0.000985 As\n0.663892 0.495953 0.910492 Ru\n0.336108 0.246600 0.832062 Ru\n0.914539 0.246600 0.410492 Ru\n0.085461 0.495953 0.332062 Ru\n0.000000 0.997643 0.997643 Ru\n0.500000 0.997643 0.497643 Ru\n","nsites":18,"nelements":3,"elements":["Ti","As","Ru"],"chemical_system":"As-Ru-Ti","density":8.181825428663004,"density_atomic":0.0660311077021611,"volume":272.5987890615212,"volume_molar":9.12015710407794,"formula_full":"Ti6 As6 Ru6","formula_reduced":"TiAsRu","formula_anonymous":"ABC","energy":-143.87931718,"energy_per_atom":-7.993295398888888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.87931718,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003133,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.167000Z","spacegroup":46}]}