{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=10268","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=10266","results":[{"id":"mp-1080169","created_at":"2022-09-04T14:40:24.844909Z","structure_string":"Te4 Mo2 W2 Se2 S2\n1.0\n1.697399 -2.939981 0.000000\n1.697399 2.939981 0.000000\n0.000000 0.000000 38.817355\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.000000 0.000000 0.330328 Te\n0.000000 0.000000 0.705780 Te\n0.000000 0.000000 0.233273 Te\n0.000000 0.000000 0.609280 Te\n0.000000 0.000000 0.093894 Mo\n0.333333 0.666667 0.657551 Mo\n0.000000 0.000000 0.469682 W\n0.333333 0.666667 0.281799 W\n0.333333 0.666667 0.051448 Se\n0.333333 0.666667 0.136390 Se\n0.333333 0.666667 0.430890 S\n0.333333 0.666667 0.508432 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.537714628179661,"density_atomic":0.030973967995108685,"volume":387.4221088462093,"volume_molar":19.44258727506595,"formula_full":"Te4 Mo2 W2 Se2 S2","formula_reduced":"Te2MoWSeS","formula_anonymous":"ABCDE2","energy":-83.90710031,"energy_per_atom":-6.992258359166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.26910031,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021917,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.820000Z","spacegroup":156},{"id":"mp-1079538","created_at":"2022-09-04T14:40:19.677432Z","structure_string":"V2 H2 O5\n1.0\n-0.000133 3.059656 0.000002\n0.359886 -0.000016 5.008168\n5.900309 -1.530072 -0.476782\nV H O\n2 2 5\ndirect\n0.854099 0.606142 0.708061 V\n0.145901 0.393858 0.291939 V\n0.645618 0.947227 0.291224 H\n0.354382 0.052773 0.708776 H\n0.000000 0.500000 0.000000 O\n0.687360 0.639589 0.374798 O\n0.312641 0.360411 0.625202 O\n0.366900 0.853726 0.733746 O\n0.633100 0.146273 0.266254 O\n","nsites":9,"nelements":3,"elements":["V","H","O"],"chemical_system":"H-O-V","density":3.3580347700778823,"density_atomic":0.09897069071060514,"volume":90.93601282743812,"volume_molar":6.084771882222199,"formula_full":"V2 H2 O5","formula_reduced":"V2H2O5","formula_anonymous":"A2B2C5","energy":-68.1714894,"energy_per_atom":-7.574609933333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.3364894,"band_gap":1.344,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0002149,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.820000Z","spacegroup":12},{"id":"mp-758291","created_at":"2022-09-04T14:40:16.285565Z","structure_string":"Li6 Sn6 P8 O32\n1.0\n12.388922 0.000000 0.000000\n0.000000 6.456935 0.000000\n0.000000 2.094295 8.695392\nLi Sn P O\n6 6 8 32\ndirect\n0.577443 0.653709 0.090351 Li\n0.900977 0.160476 0.083465 Li\n0.212543 0.120820 0.342351 Li\n0.712543 0.879180 0.657649 Li\n0.077443 0.346291 0.909649 Li\n0.400977 0.839524 0.916535 Li\n0.929292 0.602461 0.264617 Sn\n0.585061 0.088040 0.282332 Sn\n0.312230 0.635708 0.322133 Sn\n0.812230 0.364292 0.677867 Sn\n0.429292 0.397539 0.735383 Sn\n0.085061 0.911960 0.717668 Sn\n0.367745 0.360659 0.088254 P\n0.125020 0.882143 0.079597 P\n0.597427 0.548664 0.415670 P\n0.908731 0.054032 0.401994 P\n0.097427 0.451336 0.584330 P\n0.408731 0.945968 0.598006 P\n0.867745 0.639341 0.911746 P\n0.625020 0.117857 0.920403 P\n0.429505 0.571330 0.069611 O\n0.828864 0.668481 0.074502 O\n0.050069 0.073125 0.051229 O\n0.683305 0.145893 0.069127 O\n0.064458 0.662176 0.141843 O\n0.266571 0.369232 0.188174 O\n0.438726 0.164092 0.164711 O\n0.623961 0.398593 0.306529 O\n0.908847 0.279088 0.279720 O\n0.209628 0.899695 0.204664 O\n0.883646 0.900959 0.290057 O\n0.568757 0.755029 0.291443 O\n0.192131 0.417083 0.483701 O\n0.494714 0.464792 0.513834 O\n0.317338 0.954425 0.483798 O\n0.994714 0.535208 0.486166 O\n0.023010 0.011409 0.470829 O\n0.692131 0.582917 0.516299 O\n0.523010 0.988591 0.529171 O\n0.817338 0.045575 0.516202 O\n0.408847 0.720912 0.720280 O\n0.123961 0.601407 0.693471 O\n0.766571 0.630768 0.811826 O\n0.068757 0.244971 0.708557 O\n0.383646 0.099041 0.709943 O\n0.564458 0.337824 0.858157 O\n0.709628 0.100305 0.795336 O\n0.938726 0.835908 0.835289 O\n0.328864 0.331519 0.925498 O\n0.929505 0.428670 0.930389 O\n0.183305 0.854107 0.930873 O\n0.550069 0.926875 0.948771 O\n","nsites":52,"nelements":4,"elements":["Li","Sn","P","O"],"chemical_system":"Li-O-P-Sn","density":3.6135426172925507,"density_atomic":0.07475740973045601,"volume":695.5832229539557,"volume_molar":8.055577074852277,"formula_full":"Li6 Sn6 P8 O32","formula_reduced":"Li3Sn3(PO4)4","formula_anonymous":"A3B3C4D16","energy":-363.41959083,"energy_per_atom":-6.988838285192307,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-341.43559083,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0261961,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.820000Z","spacegroup":4},{"id":"mp-570545","created_at":"2022-09-04T14:40:09.577780Z","structure_string":"Cs2 Zn1 Fe1 C6 N6\n1.0\n0.000000 5.226134 5.226134\n5.226134 0.000000 5.226134\n5.226134 5.226134 0.000000\nCs Zn Fe C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Fe\n0.819782 0.180218 0.819782 C\n0.180218 0.819782 0.819782 C\n0.180218 0.819782 0.180218 C\n0.180218 0.180218 0.819782 C\n0.819782 0.180218 0.180218 C\n0.819782 0.819782 0.180218 C\n0.706832 0.293168 0.293168 N\n0.706832 0.706832 0.293168 N\n0.293168 0.293168 0.706832 N\n0.706832 0.293168 0.706832 N\n0.293168 0.706832 0.293168 N\n0.293168 0.706832 0.706832 N\n","nsites":16,"nelements":5,"elements":["Cs","Zn","Fe","C","N"],"chemical_system":"C-Cs-Fe-N-Zn","density":3.1594588070145373,"density_atomic":0.05604648284718018,"volume":285.4773250201372,"volume_molar":10.7449039691221,"formula_full":"Cs2 Zn1 Fe1 C6 N6","formula_reduced":"Cs2ZnFe(CN)6","formula_anonymous":"ABC2D6E6","energy":-121.38224622,"energy_per_atom":-7.58639038875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.21624622,"band_gap":4.151199999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0047254,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.819000Z","spacegroup":225},{"id":"mp-4307","created_at":"2022-09-04T14:40:01.829352Z","structure_string":"Ba6 Ir6 O18\n1.0\n5.010790 2.909586 0.000000\n-5.010790 2.909586 0.000000\n0.000000 0.482537 14.616178\nBa Ir O\n6 6 18\ndirect\n0.996111 0.003889 0.750000 Ba\n0.003889 0.996111 0.250000 Ba\n0.343220 0.676542 0.904457 Ba\n0.323458 0.656780 0.595543 Ba\n0.656780 0.323458 0.095543 Ba\n0.676542 0.343220 0.404457 Ba\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.324447 0.654064 0.153255 Ir\n0.345936 0.675553 0.346745 Ir\n0.675553 0.345936 0.846745 Ir\n0.654064 0.324447 0.653255 Ir\n0.710404 0.889914 0.406794 O\n0.110086 0.289596 0.093206 O\n0.289596 0.110086 0.593206 O\n0.889914 0.710404 0.906794 O\n0.099590 0.797766 0.092435 O\n0.202234 0.900410 0.407565 O\n0.900410 0.202234 0.907565 O\n0.797766 0.099590 0.592435 O\n0.186576 0.379472 0.447109 O\n0.620528 0.813424 0.052891 O\n0.813424 0.620528 0.552891 O\n0.379472 0.186576 0.947109 O\n0.514744 0.485256 0.750000 O\n0.485256 0.514744 0.250000 O\n0.955999 0.486734 0.741616 O\n0.513266 0.044001 0.758384 O\n0.044001 0.513266 0.258384 O\n0.486734 0.955999 0.241616 O\n","nsites":30,"nelements":3,"elements":["Ba","Ir","O"],"chemical_system":"Ba-Ir-O","density":8.826014378938,"density_atomic":0.07039147009012056,"volume":426.1880020632002,"volume_molar":8.555213795492541,"formula_full":"Ba6 Ir6 O18","formula_reduced":"BaIrO3","formula_anonymous":"ABC3","energy":-212.88589287,"energy_per_atom":-7.096196429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.51989287,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6631362,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.819000Z","spacegroup":15},{"id":"mp-1173348","created_at":"2022-09-04T14:40:25.105225Z","structure_string":"Sb26 O53\n1.0\n4.494112 -0.113674 -2.148969\n-0.537382 5.364855 -1.332327\n1.458228 1.569258 44.527349\nSb O\n26 53\ndirect\n0.254784 0.707955 0.869283 Sb\n0.592781 0.415275 0.938543 Sb\n0.233944 0.738144 0.722096 Sb\n0.529702 0.471866 0.795730 Sb\n0.834374 0.195154 0.869224 Sb\n0.072223 0.920653 0.946693 Sb\n0.219503 0.750004 0.573237 Sb\n0.512280 0.489857 0.646554 Sb\n0.808521 0.231692 0.720001 Sb\n0.029592 0.972513 0.795154 Sb\n0.207653 0.754129 0.423988 Sb\n0.499569 0.497358 0.497293 Sb\n0.792285 0.241079 0.570584 Sb\n0.012673 0.989966 0.646547 Sb\n0.189281 0.751724 0.275332 Sb\n0.486941 0.499724 0.348169 Sb\n0.779905 0.244961 0.421298 Sb\n0.000047 0.997337 0.497297 Sb\n0.453385 0.513271 0.199007 Sb\n0.757501 0.252243 0.272011 Sb\n0.986696 0.999744 0.348037 Sb\n0.599205 0.630860 0.084862 Sb\n0.741835 0.249260 0.139854 Sb\n0.983975 0.993351 0.200457 Sb\n0.806495 0.458522 0.014342 Sb\n0.951125 0.027501 0.060271 Sb\n0.097489 0.934991 0.899949 O\n0.416050 0.324332 0.967357 O\n0.218536 0.430937 0.899554 O\n0.022160 0.943134 0.748547 O\n0.294259 0.289693 0.813068 O\n0.205773 0.446012 0.749017 O\n0.730232 0.107862 0.924347 O\n0.390419 0.791355 0.812985 O\n0.904518 0.593945 0.980919 O\n0.744569 0.625130 0.917321 O\n0.011382 0.957811 0.599958 O\n0.968693 0.135942 0.998677 O\n0.291052 0.300787 0.664833 O\n0.186324 0.460013 0.600084 O\n0.669982 0.155150 0.777965 O\n0.364773 0.801264 0.664737 O\n0.848026 0.499462 0.842948 O\n0.763179 0.656229 0.778228 O\n0.999690 0.963023 0.450712 O\n0.046216 0.003616 0.842383 O\n0.279705 0.307278 0.515567 O\n0.173799 0.464962 0.450802 O\n0.660287 0.178081 0.628671 O\n0.350982 0.808319 0.515459 O\n0.840266 0.519282 0.693099 O\n0.734930 0.679426 0.628554 O\n0.982573 0.963349 0.301486 O\n0.014489 0.020969 0.693240 O\n0.267913 0.308802 0.366354 O\n0.159304 0.467183 0.301697 O\n0.649294 0.186520 0.479404 O\n0.337147 0.810019 0.366271 O\n0.826347 0.529589 0.543957 O\n0.721091 0.687656 0.479300 O\n0.975295 0.972977 0.155686 O\n0.001090 0.031674 0.544089 O\n0.268659 0.307142 0.219296 O\n0.110521 0.459779 0.154455 O\n0.636546 0.189519 0.330343 O\n0.335598 0.819085 0.220372 O\n0.814762 0.533279 0.394708 O\n0.705778 0.690366 0.329916 O\n0.150464 0.050108 0.028679 O\n0.988108 0.034816 0.394789 O\n0.172555 0.614621 0.054804 O\n0.628809 0.213717 0.178400 O\n0.796464 0.528552 0.245059 O\n0.708214 0.690872 0.184711 O\n0.967255 0.043381 0.245742 O\n0.674020 0.273449 0.039288 O\n0.484958 0.474709 0.116394 O\n0.631148 0.752994 0.027751 O\n0.535428 0.000386 0.097865 O\n","nsites":79,"nelements":2,"elements":["Sb","O"],"chemical_system":"O-Sb","density":6.064081578313478,"density_atomic":0.07187784852323581,"volume":1099.0868761808003,"volume_molar":8.37829857699933,"formula_full":"Sb26 O53","formula_reduced":"Sb26O53","formula_anonymous":"A26B53","energy":-480.75286741,"energy_per_atom":-6.085479334303797,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-472.21986741,"band_gap":0.9421999999999996,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001093,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.816000Z","spacegroup":1},{"id":"mp-21662","created_at":"2022-09-04T14:40:18.035782Z","structure_string":"Ti12 Fe12 Si24\n1.0\n7.579203 0.000000 0.000000\n0.000000 8.575498 0.000000\n0.000000 0.000000 9.530448\nTi Fe Si\n12 12 24\ndirect\n0.000000 0.167474 0.820286 Ti\n0.238435 0.173945 0.548537 Ti\n0.761565 0.326055 0.048537 Ti\n0.761565 0.673945 0.951463 Ti\n0.761565 0.173945 0.548537 Ti\n0.761565 0.826055 0.451463 Ti\n0.238435 0.673945 0.951463 Ti\n0.238435 0.326055 0.048537 Ti\n0.000000 0.332526 0.320286 Ti\n0.000000 0.667474 0.679714 Ti\n0.000000 0.832526 0.179714 Ti\n0.238435 0.826055 0.451463 Ti\n0.248746 0.089838 0.257347 Fe\n0.248746 0.589838 0.242653 Fe\n0.248746 0.410162 0.757347 Fe\n0.751254 0.089838 0.257347 Fe\n0.751254 0.910162 0.742653 Fe\n0.751254 0.410162 0.757347 Fe\n0.751254 0.589838 0.242653 Fe\n0.248746 0.910162 0.742653 Fe\n0.244065 0.000000 0.000000 Fe\n0.755935 0.500000 0.500000 Fe\n0.755935 0.000000 0.000000 Fe\n0.244065 0.500000 0.500000 Fe\n0.500000 0.039544 0.377959 Si\n0.000000 0.461371 0.880210 Si\n0.000000 0.538629 0.119790 Si\n0.000000 0.961371 0.619790 Si\n0.000000 0.038629 0.380210 Si\n0.000000 0.374206 0.604098 Si\n0.000000 0.625794 0.395902 Si\n0.000000 0.874206 0.895902 Si\n0.500000 0.378070 0.598396 Si\n0.500000 0.621930 0.401604 Si\n0.500000 0.878070 0.901604 Si\n0.500000 0.121930 0.098396 Si\n0.500000 0.460456 0.877959 Si\n0.500000 0.539544 0.122041 Si\n0.500000 0.960456 0.622041 Si\n0.000000 0.125794 0.104098 Si\n0.344602 0.338520 0.318675 Si\n0.655398 0.838520 0.181325 Si\n0.344602 0.838520 0.181325 Si\n0.655398 0.161480 0.818675 Si\n0.655398 0.661480 0.681325 Si\n0.655398 0.338520 0.318675 Si\n0.344602 0.161480 0.818675 Si\n0.344602 0.661480 0.681325 Si\n","nsites":48,"nelements":3,"elements":["Ti","Fe","Si"],"chemical_system":"Fe-Si-Ti","density":5.143235694295727,"density_atomic":0.07748988778946832,"volume":619.435662759131,"volume_molar":7.771518235207035,"formula_full":"Ti12 Fe12 Si24","formula_reduced":"TiFeSi2","formula_anonymous":"ABC2","energy":-357.56188187,"energy_per_atom":-7.4492058722916665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-359.26588187,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.6326199,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.816000Z","spacegroup":55},{"id":"mp-1225929","created_at":"2022-09-04T14:40:33.507546Z","structure_string":"Cs1 Ba2 Co2 F9\n1.0\n7.375079 -3.003196 0.000000\n7.375079 3.003196 0.000000\n6.152152 0.000000 5.055888\nCs Ba Co F\n1 2 2 9\ndirect\n0.214490 0.214490 0.214490 Cs\n0.999153 0.999153 0.999153 Ba\n0.793026 0.793026 0.793026 Ba\n0.389443 0.389443 0.389443 Co\n0.605422 0.605422 0.605422 Co\n0.265626 0.771718 0.265626 F\n0.771718 0.265626 0.265626 F\n0.265626 0.265626 0.771718 F\n0.734486 0.217901 0.734486 F\n0.217901 0.734486 0.734486 F\n0.734486 0.734486 0.217901 F\n0.987615 0.510505 0.510505 F\n0.510505 0.510505 0.987615 F\n0.510505 0.987615 0.510505 F\n","nsites":14,"nelements":4,"elements":["Cs","Ba","Co","F"],"chemical_system":"Ba-Co-Cs-F","density":5.163417226616211,"density_atomic":0.06251010691868016,"volume":223.96378266018166,"volume_molar":9.633867316583295,"formula_full":"Cs1 Ba2 Co2 F9","formula_reduced":"CsBa2Co2F9","formula_anonymous":"AB2C2D9","energy":-80.85447024,"energy_per_atom":-5.775319302857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.42047024,"band_gap":1.495,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0029815,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.809000Z","spacegroup":160},{"id":"mp-1174389","created_at":"2022-09-04T14:40:23.998013Z","structure_string":"Li8 Mn2 Co4 O14\n1.0\n4.984375 0.000000 0.000000\n0.894070 6.509938 0.000000\n1.463930 0.381024 7.670595\nLi Mn Co O\n8 2 4 14\ndirect\n0.656198 0.714847 0.208676 Li\n0.343802 0.285153 0.791324 Li\n0.072156 0.856856 0.350922 Li\n0.500000 0.000000 0.500000 Li\n0.203113 0.575932 0.067787 Li\n0.927844 0.143144 0.649078 Li\n0.796887 0.424068 0.932213 Li\n0.000000 0.000000 0.000000 Li\n0.568916 0.859137 0.862591 Mn\n0.431084 0.140863 0.137409 Mn\n0.291715 0.426534 0.427909 Co\n0.708285 0.573466 0.572091 Co\n0.135946 0.719433 0.723428 Co\n0.864054 0.280567 0.276572 Co\n0.874342 0.719151 0.956116 O\n0.593668 0.297715 0.533083 O\n0.346381 0.871557 0.093306 O\n0.739967 0.022288 0.250377 O\n0.456153 0.596680 0.816196 O\n0.183338 0.147801 0.366639 O\n0.029737 0.449686 0.669289 O\n0.406332 0.702285 0.466917 O\n0.125658 0.280849 0.043884 O\n0.816662 0.852199 0.633361 O\n0.260033 0.977712 0.749623 O\n0.970263 0.550314 0.330711 O\n0.653619 0.128443 0.906694 O\n0.543847 0.403320 0.183804 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.1706309447173195,"density_atomic":0.11249712323001607,"volume":248.89525346128266,"volume_molar":5.353150895856148,"formula_full":"Li8 Mn2 Co4 O14","formula_reduced":"Li4MnCo2O7","formula_anonymous":"AB2C4D7","energy":-183.31723302,"energy_per_atom":-6.547044036428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.81123302,"band_gap":0.7715000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0002689,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.807000Z","spacegroup":2},{"id":"mp-33683","created_at":"2022-09-04T14:40:31.237638Z","structure_string":"Ag2 Sb2 Se4\n1.0\n-2.869752 2.869752 5.884839\n2.869752 -2.869752 5.884839\n2.869752 2.869752 -5.884839\nAg Sb Se\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.753415 0.753415 0.000000 Se\n0.996585 0.496585 0.500000 Se\n0.503415 0.003415 0.500000 Se\n0.246585 0.246585 0.000000 Se\n","nsites":8,"nelements":3,"elements":["Ag","Sb","Se"],"chemical_system":"Ag-Sb-Se","density":6.639287966234777,"density_atomic":0.04126735894286918,"volume":193.85781414011146,"volume_molar":14.59298805222087,"formula_full":"Ag2 Sb2 Se4","formula_reduced":"AgSbSe2","formula_anonymous":"ABC2","energy":-31.10782339,"energy_per_atom":-3.88847792375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.21982339,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009158,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.806000Z","spacegroup":141},{"id":"mp-555514","created_at":"2022-09-04T14:40:25.472982Z","structure_string":"Os4 O4 F20\n1.0\n5.165511 0.000000 0.000000\n0.000000 8.882469 0.000000\n0.000000 0.000000 9.685951\nOs O F\n4 4 20\ndirect\n0.918380 0.166575 0.372470 Os\n0.418380 0.666575 0.127530 Os\n0.581620 0.166575 0.872470 Os\n0.081620 0.666575 0.627530 Os\n0.050503 0.028794 0.274165 O\n0.949497 0.528794 0.725835 O\n0.550503 0.528794 0.225835 O\n0.449497 0.028794 0.774165 O\n0.801992 0.678426 0.503689 F\n0.939343 0.825448 0.731461 F\n0.752654 0.035533 0.994760 F\n0.439343 0.325448 0.768539 F\n0.698008 0.678426 0.003689 F\n0.272235 0.822673 0.017965 F\n0.301992 0.178426 0.996311 F\n0.727765 0.322673 0.982035 F\n0.227765 0.822673 0.517965 F\n0.772235 0.322673 0.482035 F\n0.110907 0.681549 0.231069 F\n0.247346 0.535533 0.005240 F\n0.252654 0.535533 0.505240 F\n0.198008 0.178426 0.496311 F\n0.389093 0.681549 0.731069 F\n0.060657 0.325448 0.268539 F\n0.610907 0.181549 0.268931 F\n0.560657 0.825448 0.231461 F\n0.747346 0.035533 0.494760 F\n0.889093 0.181549 0.768931 F\n","nsites":28,"nelements":3,"elements":["Os","O","F"],"chemical_system":"F-O-Os","density":4.5020019179504684,"density_atomic":0.06300409424653869,"volume":444.4155627479441,"volume_molar":9.558332410009756,"formula_full":"Os4 O4 F20","formula_reduced":"OsOF5","formula_anonymous":"ABC5","energy":-158.95460834,"energy_per_atom":-5.676950297857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.96660834,"band_gap":0.8055000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0057617,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.804000Z","spacegroup":33},{"id":"mp-1047869","created_at":"2022-09-04T14:40:17.683507Z","structure_string":"Ca2 Cr6 P6 O26\n1.0\n6.367894 0.000000 0.000000\n0.000000 7.582753 0.000000\n0.000000 1.839190 10.175510\nCa Cr P O\n2 6 6 26\ndirect\n0.750000 0.342158 0.195407 Ca\n0.250000 0.657842 0.804593 Ca\n0.250000 0.641317 0.200312 Cr\n0.750000 0.358683 0.799688 Cr\n0.250000 0.224689 0.439502 Cr\n0.500000 0.000000 0.000000 Cr\n0.750000 0.775311 0.560498 Cr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.790317 0.485733 P\n0.750000 0.209683 0.514267 P\n0.250000 0.259752 0.764046 P\n0.750000 0.740248 0.235954 P\n0.750000 0.686481 0.886884 P\n0.250000 0.313519 0.113116 P\n0.750000 0.643788 0.743429 O\n0.560686 0.248058 0.416985 O\n0.250000 0.203008 0.630533 O\n0.547052 0.790469 0.905150 O\n0.750000 0.340091 0.611667 O\n0.750000 0.122784 0.905261 O\n0.250000 0.659909 0.388333 O\n0.047052 0.209531 0.094850 O\n0.250000 0.983537 0.407476 O\n0.750000 0.016463 0.592524 O\n0.062123 0.378501 0.788590 O\n0.250000 0.877216 0.094739 O\n0.562123 0.621499 0.211410 O\n0.750000 0.492093 0.965157 O\n0.750000 0.796992 0.369467 O\n0.452948 0.209531 0.094850 O\n0.939314 0.248058 0.416985 O\n0.439314 0.751942 0.583015 O\n0.437877 0.378501 0.788590 O\n0.250000 0.356212 0.256571 O\n0.750000 0.916147 0.126852 O\n0.250000 0.083853 0.873148 O\n0.937877 0.621499 0.211410 O\n0.952948 0.790469 0.905150 O\n0.060686 0.751942 0.583015 O\n0.250000 0.507907 0.034843 O\n","nsites":40,"nelements":4,"elements":["Ca","Cr","P","O"],"chemical_system":"Ca-Cr-O-P","density":3.359223481063851,"density_atomic":0.08141062161532125,"volume":491.33637855029116,"volume_molar":7.3972420803462455,"formula_full":"Ca2 Cr6 P6 O26","formula_reduced":"CaCr3P3O13","formula_anonymous":"AB3C3D13","energy":-332.27087021,"energy_per_atom":-8.30677175525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-302.41487021,"band_gap":1.0738,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":17.9996582,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.804000Z","spacegroup":11}]}