{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10229","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10227","results":[{"id":"mp-768576","created_at":"2022-09-04T14:42:10.589645Z","structure_string":"Li6 Cr2 B2 P2 O14\n1.0\n8.380738 -0.000076 0.429560\n-0.000056 6.389484 -0.000055\n0.234081 -0.000045 5.044438\nLi Cr B P O\n6 2 2 2 14\ndirect\n0.094090 0.249979 0.759526 Li\n0.235167 0.994792 0.253867 Li\n0.235162 0.505140 0.253924 Li\n0.764893 0.494767 0.746171 Li\n0.764880 0.005222 0.746179 Li\n0.905894 0.749993 0.240560 Li\n0.324065 0.749961 0.787712 Cr\n0.675912 0.250311 0.212220 Cr\n0.043589 0.749972 0.706093 B\n0.956368 0.249969 0.293816 B\n0.419334 0.249987 0.731312 P\n0.580711 0.750063 0.268713 P\n0.109417 0.249968 0.356507 O\n0.093760 0.749979 0.963890 O\n0.175085 0.749984 0.509426 O\n0.308755 0.062397 0.821403 O\n0.308725 0.437522 0.821310 O\n0.458729 0.249981 0.425059 O\n0.422497 0.749962 0.137898 O\n0.577499 0.250001 0.862071 O\n0.541259 0.750008 0.574944 O\n0.691279 0.562456 0.178686 O\n0.691297 0.937619 0.178646 O\n0.824894 0.250012 0.490524 O\n0.906229 0.250002 0.036016 O\n0.890512 0.749954 0.643526 O\n","nsites":26,"nelements":5,"elements":["Li","Cr","B","P","O"],"chemical_system":"B-Cr-Li-O-P","density":2.7926190210373605,"density_atomic":0.09648208694776352,"volume":269.48007472181536,"volume_molar":6.241719007654192,"formula_full":"Li6 Cr2 B2 P2 O14","formula_reduced":"Li3CrBPO7","formula_anonymous":"ABCD3E7","energy":-192.48354747,"energy_per_atom":-7.403213364230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.86754747,"band_gap":3.1695999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0008251,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.220000Z","spacegroup":11},{"id":"mp-1181737","created_at":"2022-09-04T14:42:10.590842Z","structure_string":"Ge6 Pb6 O20\n1.0\n7.947565 4.585852 2.467742\n-7.947557 4.586397 2.466591\n0.000470 -9.175397 2.473126\nGe Pb O\n6 6 20\ndirect\n0.242469 0.846765 0.978192 Ge\n0.846432 0.979032 0.242571 Ge\n0.978156 0.243012 0.845950 Ge\n0.756973 0.153791 0.021156 Ge\n0.153109 0.021662 0.756927 Ge\n0.021356 0.757776 0.153522 Ge\n0.327343 0.490882 0.794383 Pb\n0.489579 0.794446 0.326832 Pb\n0.794072 0.327161 0.489433 Pb\n0.672142 0.510016 0.205244 Pb\n0.509882 0.205850 0.672903 Pb\n0.204932 0.672749 0.509227 Pb\n0.022152 0.720569 0.953404 O\n0.720056 0.953703 0.022031 O\n0.952932 0.022443 0.719796 O\n0.977453 0.280539 0.046263 O\n0.279483 0.046963 0.977464 O\n0.046635 0.978340 0.279820 O\n0.467920 0.963840 0.212436 O\n0.963827 0.213460 0.468100 O\n0.212953 0.468593 0.963612 O\n0.531383 0.035931 0.786570 O\n0.035648 0.787052 0.531498 O\n0.786765 0.532169 0.036126 O\n0.182353 0.654345 0.762243 O\n0.653829 0.762966 0.182392 O\n0.762254 0.182830 0.653434 O\n0.816718 0.346100 0.236866 O\n0.345804 0.237771 0.817200 O\n0.237389 0.818029 0.345961 O\n0.586816 0.579916 0.588095 O\n0.421185 0.411294 0.420350 O\n","nsites":32,"nelements":3,"elements":["Ge","Pb","O"],"chemical_system":"Ge-O-Pb","density":6.145960106819695,"density_atomic":0.05924773340868196,"volume":540.1050497454276,"volume_molar":10.164339483605522,"formula_full":"Ge6 Pb6 O20","formula_reduced":"Ge3Pb3O10","formula_anonymous":"A3B3C10","energy":-197.63016425,"energy_per_atom":-6.1759426328125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.41016425,"band_gap":0.6684999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9982797,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.455000Z","spacegroup":1},{"id":"mp-1217829","created_at":"2022-09-04T14:42:10.592845Z","structure_string":"Ta1 Ti1 Se4\n1.0\n3.511875 0.000000 0.000000\n0.000000 6.118510 0.000000\n0.000000 0.020596 6.500934\nTa Ti Se\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ti\n0.000000 0.663341 0.755639 Se\n0.500000 0.169164 0.750715 Se\n0.500000 0.830836 0.249285 Se\n0.000000 0.336659 0.244361 Se\n","nsites":6,"nelements":3,"elements":["Ta","Ti","Se"],"chemical_system":"Se-Ta-Ti","density":6.474556366020447,"density_atomic":0.04295272978169615,"volume":139.68844426173902,"volume_molar":14.020391231493445,"formula_full":"Ta1 Ti1 Se4","formula_reduced":"TaTiSe4","formula_anonymous":"ABC4","energy":-41.38971289,"energy_per_atom":-6.898285481666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.50171289,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032464,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.165000Z","spacegroup":10},{"id":"mp-21703","created_at":"2022-09-04T14:42:10.599240Z","structure_string":"Na12 Ti4 P12 N4 O36\n1.0\n9.629697 0.000000 0.000000\n0.000000 9.629697 0.000000\n0.000000 0.000000 9.629697\nNa Ti P N O\n12 4 12 4 36\ndirect\n0.741312 0.741312 0.741312 Na\n0.642429 0.857571 0.142429 Na\n0.357571 0.357571 0.357571 Na\n0.944421 0.944421 0.944421 Na\n0.555579 0.055579 0.444421 Na\n0.444421 0.555579 0.055579 Na\n0.055579 0.444421 0.555579 Na\n0.258688 0.241312 0.758688 Na\n0.142429 0.642429 0.857571 Na\n0.241312 0.758688 0.258688 Na\n0.758688 0.258688 0.241312 Na\n0.857571 0.142429 0.642429 Na\n0.331177 0.831177 0.668823 Ti\n0.831177 0.668823 0.331177 Ti\n0.168823 0.168823 0.168823 Ti\n0.668823 0.331177 0.831177 Ti\n0.583006 0.004031 0.836356 P\n0.836356 0.583006 0.004031 P\n0.663644 0.416994 0.504031 P\n0.083006 0.495969 0.163644 P\n0.163644 0.083006 0.495969 P\n0.916994 0.995969 0.336356 P\n0.416994 0.504031 0.663644 P\n0.336356 0.916994 0.995969 P\n0.504031 0.663644 0.416994 P\n0.995969 0.336356 0.916994 P\n0.004031 0.836356 0.583006 P\n0.495969 0.163644 0.083006 P\n0.050726 0.949274 0.449274 N\n0.550726 0.550726 0.550726 N\n0.949274 0.449274 0.050726 N\n0.449274 0.050726 0.949274 N\n0.124315 0.363107 0.242765 O\n0.800035 0.062312 0.418364 O\n0.081636 0.199965 0.562312 O\n0.199965 0.562312 0.081636 O\n0.581636 0.300035 0.437688 O\n0.918364 0.699965 0.937688 O\n0.699965 0.937688 0.918364 O\n0.937688 0.918364 0.699965 O\n0.363107 0.242765 0.124315 O\n0.863107 0.257235 0.875685 O\n0.636893 0.742765 0.375685 O\n0.257235 0.875685 0.863107 O\n0.478033 0.400803 0.770665 O\n0.875685 0.863107 0.257235 O\n0.242765 0.124315 0.363107 O\n0.300035 0.437688 0.581636 O\n0.742765 0.375685 0.636893 O\n0.757235 0.624315 0.136893 O\n0.624315 0.136893 0.757235 O\n0.136893 0.757235 0.624315 O\n0.599197 0.270665 0.021967 O\n0.099197 0.229335 0.978033 O\n0.400803 0.770665 0.478033 O\n0.229335 0.978033 0.099197 O\n0.562312 0.081636 0.199965 O\n0.418364 0.800035 0.062312 O\n0.437688 0.581636 0.300035 O\n0.062312 0.418364 0.800035 O\n0.900803 0.729335 0.521967 O\n0.521967 0.900803 0.729335 O\n0.729335 0.521967 0.900803 O\n0.770665 0.478033 0.400803 O\n0.021967 0.599197 0.270665 O\n0.270665 0.021967 0.599197 O\n0.978033 0.099197 0.229335 O\n0.375685 0.636893 0.742765 O\n","nsites":68,"nelements":5,"elements":["Na","Ti","P","N","O"],"chemical_system":"N-Na-O-P-Ti","density":2.735485434613344,"density_atomic":0.0761501996195181,"volume":892.9720518102342,"volume_molar":7.908240280510651,"formula_full":"Na12 Ti4 P12 N4 O36","formula_reduced":"Na3TiP3NO9","formula_anonymous":"ABC3D3E9","energy":-498.81788843,"energy_per_atom":-7.335557182794117,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-472.64188843,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9301135,"is_theoretical":false,"updated_at":"2021-11-28T01:35:38.910000Z","spacegroup":198},{"id":"mp-756072","created_at":"2022-09-04T14:42:10.601315Z","structure_string":"Li1 Cr1 Co2 O6\n1.0\n1.443462 6.345352 0.000000\n-1.443462 6.345352 0.000000\n0.000000 1.568428 5.761080\nLi Cr Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Cr\n0.328441 0.328441 0.828940 Co\n0.671559 0.671559 0.171060 Co\n0.162171 0.162171 0.377686 O\n0.483637 0.483637 0.741640 O\n0.516363 0.516363 0.258360 O\n0.824785 0.824785 0.042988 O\n0.837829 0.837829 0.622314 O\n0.175215 0.175215 0.957012 O\n","nsites":10,"nelements":4,"elements":["Li","Cr","Co","O"],"chemical_system":"Co-Cr-Li-O","density":4.292381479613473,"density_atomic":0.09475563012427307,"volume":105.5346261418439,"volume_molar":6.355443736801598,"formula_full":"Li1 Cr1 Co2 O6","formula_reduced":"LiCr(CoO3)2","formula_anonymous":"ABC2D6","energy":-71.62117304,"energy_per_atom":-7.162117304000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.22417304,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0001324,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.024000Z","spacegroup":12},{"id":"mp-768357","created_at":"2022-09-04T14:42:10.601655Z","structure_string":"Ba2 Ti11 O24\n1.0\n-7.329141 0.000000 0.000000\n-0.316564 -7.399687 0.000000\n1.880081 1.772269 8.596653\nBa Ti O\n2 11 24\ndirect\n0.002959 0.999887 0.224491 Ba\n0.018224 0.005509 0.785761 Ba\n0.473219 0.183765 0.621809 Ti\n0.477184 0.187658 0.265923 Ti\n0.190621 0.508898 0.109975 Ti\n0.177166 0.536757 0.454231 Ti\n0.188492 0.509542 0.789081 Ti\n0.806912 0.479359 0.212233 Ti\n0.802039 0.487526 0.882557 Ti\n0.808943 0.471287 0.546172 Ti\n0.521465 0.835087 0.731973 Ti\n0.505875 0.838409 0.051481 Ti\n0.520184 0.819387 0.390044 Ti\n0.332445 0.029043 0.082716 O\n0.362441 0.043693 0.400858 O\n0.345795 0.030990 0.708553 O\n0.286771 0.371329 0.277209 O\n0.283813 0.378886 0.942490 O\n0.293710 0.379883 0.611850 O\n0.048226 0.645343 0.283408 O\n0.049406 0.647347 0.614594 O\n0.048709 0.649044 0.950724 O\n0.623174 0.291968 0.483606 O\n0.640751 0.295936 0.800254 O\n0.640263 0.289592 0.174828 O\n0.378099 0.701024 0.185559 O\n0.383934 0.701663 0.509669 O\n0.368406 0.714924 0.844584 O\n0.951218 0.357402 0.050306 O\n0.956541 0.359378 0.387513 O\n0.957264 0.360225 0.716679 O\n0.710334 0.625967 0.717388 O\n0.701071 0.619504 0.056365 O\n0.712298 0.628048 0.390883 O\n0.656072 0.929044 0.934333 O\n0.644739 0.950413 0.262117 O\n0.649182 0.952777 0.603524 O\n","nsites":37,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":4.221204009618479,"density_atomic":0.07936077501540256,"volume":466.2252856378851,"volume_molar":7.588308908060948,"formula_full":"Ba2 Ti11 O24","formula_reduced":"Ba2Ti11O24","formula_anonymous":"A2B11C24","energy":-338.4053059,"energy_per_atom":-9.146089348648648,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-321.9173059,"band_gap":2.342,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.53e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.055000Z","spacegroup":1},{"id":"mp-698025","created_at":"2022-09-04T14:42:10.640986Z","structure_string":"Na8 Si12 H8 O32\n1.0\n12.871209 0.000000 0.000000\n0.000000 7.400631 0.000000\n0.000000 4.470634 8.069324\nNa Si H O\n8 12 8 32\ndirect\n0.332326 0.856138 0.486912 Na\n0.832326 0.143862 0.013088 Na\n0.667674 0.143862 0.513088 Na\n0.167674 0.856138 0.986912 Na\n0.920673 0.702705 0.963376 Na\n0.420673 0.297295 0.536624 Na\n0.079327 0.297295 0.036624 Na\n0.579327 0.702705 0.463376 Na\n0.101112 0.743764 0.676043 Si\n0.601112 0.256236 0.823957 Si\n0.898888 0.256236 0.323957 Si\n0.398888 0.743764 0.176043 Si\n0.806873 0.644638 0.309081 Si\n0.306873 0.355362 0.190919 Si\n0.193127 0.355362 0.690919 Si\n0.693127 0.644638 0.809081 Si\n0.867856 0.782368 0.562017 Si\n0.367856 0.217632 0.937983 Si\n0.132144 0.217632 0.437983 Si\n0.632144 0.782368 0.062017 Si\n0.493919 0.836932 0.703357 H\n0.993919 0.163068 0.796643 H\n0.506081 0.163068 0.296643 H\n0.006081 0.836932 0.203357 H\n0.396162 0.787123 0.819332 H\n0.896162 0.212877 0.680668 H\n0.603838 0.212877 0.180668 H\n0.103838 0.787123 0.319332 H\n0.086086 0.679645 0.865523 O\n0.586086 0.320355 0.634477 O\n0.913914 0.320355 0.134477 O\n0.413914 0.679645 0.365523 O\n0.991928 0.739690 0.581767 O\n0.491928 0.260310 0.918233 O\n0.008072 0.260310 0.418233 O\n0.508072 0.739690 0.081767 O\n0.887795 0.791450 0.172337 O\n0.387795 0.208550 0.327663 O\n0.112205 0.208550 0.827663 O\n0.612205 0.791450 0.672337 O\n0.156047 0.973235 0.559761 O\n0.656047 0.026765 0.940239 O\n0.843953 0.026765 0.440239 O\n0.343953 0.973235 0.059761 O\n0.810603 0.649872 0.486173 O\n0.310603 0.350128 0.013827 O\n0.189397 0.350128 0.513827 O\n0.689397 0.649872 0.986173 O\n0.184532 0.603116 0.635026 O\n0.684532 0.396884 0.864974 O\n0.815468 0.396884 0.364974 O\n0.315468 0.603116 0.135026 O\n0.684048 0.710664 0.245023 O\n0.184048 0.289336 0.254977 O\n0.315952 0.289336 0.754977 O\n0.815952 0.710664 0.745023 O\n0.417909 0.873983 0.704832 O\n0.917909 0.126017 0.795168 O\n0.582091 0.126017 0.295168 O\n0.082091 0.873983 0.204832 O\n","nsites":60,"nelements":4,"elements":["Na","Si","H","O"],"chemical_system":"H-Na-O-Si","density":2.248898071240354,"density_atomic":0.0780595429039867,"volume":768.6440090201405,"volume_molar":7.7148040277499925,"formula_full":"Na8 Si12 H8 O32","formula_reduced":"Na2Si3(HO4)2","formula_anonymous":"A2B2C3D8","energy":-420.08818572,"energy_per_atom":-7.001469762,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-398.10418572,"band_gap":4.5957,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.4e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.524000Z","spacegroup":14},{"id":"mp-698457","created_at":"2022-09-04T14:42:10.604821Z","structure_string":"Na4 Li4 H16 C8 O20\n1.0\n7.139929 0.000000 0.000000\n-0.061164 8.304758 0.000000\n-1.717253 -3.529756 9.743404\nNa Li H C O\n4 4 16 8 20\ndirect\n0.407539 0.138560 0.645076 Na\n0.592461 0.861440 0.354924 Na\n0.910063 0.146140 0.647285 Na\n0.089937 0.853860 0.352715 Na\n0.216156 0.438786 0.862885 Li\n0.783844 0.561214 0.137115 Li\n0.694099 0.867835 0.794623 Li\n0.305901 0.132165 0.205377 Li\n0.548462 0.465527 0.826887 H\n0.451538 0.534473 0.173113 H\n0.438365 0.557999 0.730016 H\n0.561635 0.442001 0.269984 H\n0.868649 0.464843 0.835792 H\n0.131351 0.535157 0.164208 H\n0.925079 0.566228 0.740470 H\n0.074921 0.433772 0.259530 H\n0.034175 0.386350 0.499458 H\n0.965825 0.613650 0.500542 H\n0.365008 0.587293 0.481077 H\n0.634992 0.412707 0.518923 H\n0.202497 0.969207 0.865862 H\n0.797503 0.030793 0.134138 H\n0.729287 0.198421 0.016920 H\n0.270713 0.801579 0.983080 H\n0.091376 0.267545 0.435475 C\n0.908624 0.732455 0.564525 C\n0.396311 0.718858 0.557432 C\n0.603689 0.281142 0.442568 C\n0.221942 0.111691 0.908807 C\n0.778058 0.888309 0.091193 C\n0.723022 0.236197 0.924813 C\n0.276978 0.763803 0.075187 C\n0.122348 0.151326 0.487757 O\n0.877652 0.848674 0.512243 O\n0.118438 0.262472 0.317856 O\n0.881562 0.737528 0.682144 O\n0.378590 0.841373 0.510985 O\n0.621410 0.158627 0.489015 O\n0.450262 0.732246 0.682265 O\n0.549738 0.267754 0.317735 O\n0.200479 0.188279 0.820503 O\n0.799521 0.811721 0.179497 O\n0.262072 0.182373 0.036816 O\n0.737928 0.817627 0.963184 O\n0.699769 0.118051 0.808616 O\n0.300231 0.881949 0.191384 O\n0.738306 0.396669 0.946248 O\n0.261694 0.603331 0.053752 O\n0.429880 0.456846 0.761565 O\n0.570120 0.543154 0.238435 O\n0.953764 0.465268 0.770270 O\n0.046236 0.534732 0.229730 O\n","nsites":52,"nelements":5,"elements":["Na","Li","H","C","O"],"chemical_system":"C-H-Li-Na-O","density":1.586341073164181,"density_atomic":0.09000606153219544,"volume":577.738866858422,"volume_molar":6.690816882200609,"formula_full":"Na4 Li4 H16 C8 O20","formula_reduced":"NaLiH4C2O5","formula_anonymous":"ABC2D4E5","energy":-318.62410571,"energy_per_atom":-6.127386648269231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.88410571,"band_gap":4.616300000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:42.380000Z","spacegroup":2},{"id":"mp-866617","created_at":"2022-09-04T14:42:10.614479Z","structure_string":"Cs4 Sr4 C6 O18\n1.0\n-5.087247 5.087247 5.087247\n5.087247 -5.087247 5.087247\n5.087247 5.087247 -5.087247\nCs Sr C O\n4 4 6 18\ndirect\n0.883657 0.883657 0.883657 Cs\n0.500000 0.000000 0.616343 Cs\n0.616343 0.500000 0.000000 Cs\n0.000000 0.616343 0.500000 Cs\n0.406446 0.406446 0.406446 Sr\n0.500000 0.000000 0.093554 Sr\n0.093554 0.500000 0.000000 Sr\n0.000000 0.093554 0.500000 Sr\n0.589982 0.750000 0.339982 C\n0.910018 0.250000 0.160018 C\n0.339982 0.589982 0.750000 C\n0.750000 0.339982 0.589982 C\n0.250000 0.160018 0.910018 C\n0.160018 0.910018 0.250000 C\n0.415867 0.644414 0.282774 O\n0.861640 0.133093 0.217226 O\n0.084133 0.366907 0.228547 O\n0.638360 0.855586 0.271453 O\n0.282774 0.415867 0.644414 O\n0.644414 0.282774 0.415867 O\n0.271453 0.638360 0.855586 O\n0.133093 0.217226 0.861640 O\n0.217226 0.861640 0.133093 O\n0.366907 0.228547 0.084133 O\n0.228547 0.084133 0.366907 O\n0.855586 0.271453 0.638360 O\n0.718279 0.750000 0.468279 O\n0.781721 0.250000 0.031721 O\n0.468279 0.718279 0.750000 O\n0.750000 0.468279 0.718279 O\n0.250000 0.031721 0.781721 O\n0.031721 0.781721 0.250000 O\n","nsites":32,"nelements":4,"elements":["Cs","Sr","C","O"],"chemical_system":"C-Cs-O-Sr","density":3.916665635275274,"density_atomic":0.06076332266195577,"volume":526.6334788508095,"volume_molar":9.910815433025181,"formula_full":"Cs4 Sr4 C6 O18","formula_reduced":"Cs2Sr2(CO3)3","formula_anonymous":"A2B2C3D9","energy":-233.56290759,"energy_per_atom":-7.2988408621875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-221.19690759,"band_gap":4.6235,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011753,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.215000Z","spacegroup":199},{"id":"mp-779482","created_at":"2022-09-04T14:42:10.632873Z","structure_string":"Li12 Bi4 B8 S2 O32\n1.0\n0.000000 6.884491 6.884491\n6.884491 0.000000 6.884491\n6.884491 6.884491 0.000000\nLi Bi B S O\n12 4 8 2 32\ndirect\n0.286469 0.713531 0.286469 Li\n0.713531 0.286469 0.286469 Li\n0.713531 0.713531 0.286469 Li\n0.536469 0.963531 0.536469 Li\n0.286469 0.713531 0.713531 Li\n0.286469 0.286469 0.713531 Li\n0.963531 0.963531 0.536469 Li\n0.963531 0.536469 0.536469 Li\n0.713531 0.286469 0.713531 Li\n0.536469 0.963531 0.963531 Li\n0.536469 0.536469 0.963531 Li\n0.963531 0.536469 0.963531 Li\n0.125000 0.625000 0.125000 Bi\n0.125000 0.125000 0.125000 Bi\n0.625000 0.125000 0.125000 Bi\n0.125000 0.125000 0.625000 Bi\n0.897213 0.897213 0.308361 B\n0.352787 0.352787 0.352787 B\n0.352787 0.941639 0.352787 B\n0.941639 0.352787 0.352787 B\n0.308361 0.897213 0.897213 B\n0.897213 0.308361 0.897213 B\n0.897213 0.897213 0.897213 B\n0.352787 0.352787 0.941639 B\n0.750000 0.750000 0.750000 S\n0.500000 0.500000 0.500000 S\n0.041120 0.894933 0.307181 O\n0.894933 0.756766 0.307181 O\n0.756766 0.041120 0.307181 O\n0.493234 0.355067 0.208880 O\n0.938111 0.687296 0.687296 O\n0.493234 0.942819 0.355067 O\n0.355067 0.942819 0.208880 O\n0.687296 0.938111 0.687296 O\n0.687296 0.687296 0.687296 O\n0.208880 0.493234 0.355067 O\n0.355067 0.208880 0.493234 O\n0.687296 0.687296 0.938111 O\n0.942819 0.493234 0.208880 O\n0.208880 0.942819 0.493234 O\n0.942819 0.208880 0.355067 O\n0.307181 0.894933 0.756766 O\n0.942819 0.355067 0.493234 O\n0.307181 0.041120 0.894933 O\n0.041120 0.307181 0.756766 O\n0.307181 0.756766 0.041120 O\n0.562704 0.562704 0.311889 O\n0.894933 0.041120 0.756766 O\n0.041120 0.756766 0.894933 O\n0.562704 0.562704 0.562704 O\n0.562704 0.311889 0.562704 O\n0.894933 0.307181 0.041120 O\n0.756766 0.307181 0.894933 O\n0.311889 0.562704 0.562704 O\n0.756766 0.894933 0.041120 O\n0.493234 0.208880 0.942819 O\n0.355067 0.493234 0.942819 O\n0.208880 0.355067 0.942819 O\n","nsites":58,"nelements":5,"elements":["Li","Bi","B","S","O"],"chemical_system":"B-Bi-Li-O-S","density":4.0249321894306584,"density_atomic":0.08887558826506871,"volume":652.5976495032222,"volume_molar":6.77592224991991,"formula_full":"Li12 Bi4 B8 S2 O32","formula_reduced":"Li6Bi2B4SO16","formula_anonymous":"AB2C4D6E16","energy":-391.40341481,"energy_per_atom":-6.748334738103448,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-369.41941481,"band_gap":0.1307,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.9843248,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.974000Z","spacegroup":203},{"id":"mp-569070","created_at":"2022-09-04T14:42:10.633872Z","structure_string":"In2 Si4 P2 H48 C16\n1.0\n9.477546 0.000000 0.000000\n4.253870 8.912243 0.000000\n1.613052 1.702046 9.702036\nIn Si P H C\n2 4 2 48 16\ndirect\n0.461521 0.352631 0.427587 In\n0.538479 0.647369 0.572413 In\n0.749633 0.189989 0.740724 Si\n0.250367 0.810011 0.259276 Si\n0.322914 0.371828 0.835855 Si\n0.677086 0.628172 0.164145 Si\n0.482221 0.619661 0.327812 P\n0.517779 0.380339 0.672188 P\n0.916706 0.298743 0.574234 H\n0.867053 0.524868 0.530788 H\n0.234404 0.850433 0.649837 H\n0.208357 0.273688 0.484174 H\n0.729165 0.217222 0.989998 H\n0.083294 0.701257 0.425766 H\n0.765596 0.149567 0.350163 H\n0.366513 0.100822 0.842566 H\n0.633487 0.899178 0.157434 H\n0.270835 0.782778 0.010002 H\n0.791643 0.726312 0.515826 H\n0.649375 0.992689 0.861809 H\n0.415139 0.429123 0.031129 H\n0.230247 0.226917 0.720605 H\n0.827732 0.345700 0.182684 H\n0.122430 0.828976 0.498674 H\n0.517367 0.770734 0.959765 H\n0.829312 0.787554 0.100428 H\n0.926649 0.129076 0.923269 H\n0.820929 0.329578 0.880652 H\n0.642201 0.050454 0.410698 H\n0.704019 0.977732 0.684907 H\n0.371413 0.840732 0.758619 H\n0.805381 0.610308 0.681651 H\n0.715223 0.661638 0.909098 H\n0.284777 0.338362 0.090902 H\n0.149420 0.091788 0.196159 H\n0.073351 0.870924 0.076731 H\n0.950028 0.444564 0.118245 H\n0.049972 0.555436 0.881755 H\n0.295981 0.022268 0.315093 H\n0.170688 0.212446 0.899572 H\n0.018088 0.099323 0.626332 H\n0.172268 0.654300 0.817316 H\n0.357799 0.949546 0.589302 H\n0.132947 0.475132 0.469212 H\n0.981912 0.900677 0.373668 H\n0.179071 0.670422 0.119348 H\n0.894462 0.416615 0.297405 H\n0.628587 0.159268 0.241381 H\n0.194619 0.389692 0.318349 H\n0.850580 0.908212 0.803841 H\n0.105538 0.583385 0.702595 H\n0.769753 0.773083 0.279395 H\n0.350625 0.007311 0.138191 H\n0.584861 0.570877 0.968871 H\n0.877570 0.171024 0.501326 H\n0.482633 0.229266 0.040235 H\n0.853130 0.440785 0.194451 C\n0.351901 0.845089 0.651985 C\n0.648099 0.154911 0.348015 C\n0.810592 0.220168 0.898852 C\n0.220130 0.376893 0.425108 C\n0.189408 0.779832 0.101148 C\n0.095926 0.809601 0.403456 C\n0.904074 0.190399 0.596544 C\n0.731796 0.786925 0.177072 C\n0.779870 0.623107 0.574892 C\n0.268204 0.213075 0.822928 C\n0.616885 0.660465 0.984470 C\n0.736029 0.000036 0.776211 C\n0.146870 0.559215 0.805549 C\n0.383115 0.339535 0.015530 C\n0.263971 0.999964 0.223789 C\n","nsites":72,"nelements":5,"elements":["In","Si","P","H","C"],"chemical_system":"C-H-In-P-Si","density":1.3059041047988085,"density_atomic":0.08785908868935662,"volume":819.4940452270158,"volume_molar":6.854317350470688,"formula_full":"In2 Si4 P2 H48 C16","formula_reduced":"InSi2P(H3C)8","formula_anonymous":"ABC2D8E24","energy":-361.50070422,"energy_per_atom":-5.0208431141666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-361.50070422,"band_gap":3.6879,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021679,"is_theoretical":false,"updated_at":"2021-11-28T01:35:46.933000Z","spacegroup":2},{"id":"mp-1191190","created_at":"2022-09-04T14:42:10.635029Z","structure_string":"Na2 Si4 B2 O14\n1.0\n-0.023549 0.000000 -4.953306\n0.000000 -7.221647 0.000000\n-8.161942 0.000000 0.517009\nNa Si B O\n2 4 2 14\ndirect\n0.986003 0.495780 0.442061 Na\n0.013997 0.995780 0.557939 Na\n0.212662 0.908031 0.132624 Si\n0.787338 0.408031 0.867376 Si\n0.305187 0.484624 0.080856 Si\n0.694813 0.984624 0.919144 Si\n0.382978 0.202779 0.339096 B\n0.617022 0.702779 0.660904 B\n0.246955 0.685687 0.164295 O\n0.753045 0.185687 0.835705 O\n0.895818 0.951642 0.081499 O\n0.104182 0.451642 0.918501 O\n0.256786 0.332247 0.220149 O\n0.743214 0.832247 0.779851 O\n0.300781 0.011912 0.303314 O\n0.699219 0.511912 0.696686 O\n0.613175 0.479018 0.019487 O\n0.386825 0.979018 0.980513 O\n0.670942 0.223832 0.379778 O\n0.329058 0.723832 0.620222 O\n0.676316 0.749550 0.493874 O\n0.323684 0.249550 0.506126 O\n","nsites":22,"nelements":4,"elements":["Na","Si","B","O"],"chemical_system":"B-Na-O-Si","density":2.2967040995061963,"density_atomic":0.07532983125914755,"volume":292.0489749182661,"volume_molar":7.9943637989614,"formula_full":"Na2 Si4 B2 O14","formula_reduced":"NaSi2BO7","formula_anonymous":"ABC2D7","energy":-163.7926184,"energy_per_atom":-7.445119018181819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.1746184,"band_gap":0.7714,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004189,"is_theoretical":false,"updated_at":"2021-11-28T01:35:38.397000Z","spacegroup":4}]}