{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=10234","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=10232","results":[{"id":"mp-757902","created_at":"2022-09-04T14:40:20.972176Z","structure_string":"Li4 Co4 P4 O16\n1.0\n5.151731 0.452149 -0.175890\n0.967016 7.833726 -0.313953\n-0.127435 0.002608 8.756906\nLi Co P O\n4 4 4 16\ndirect\n0.134354 0.969135 0.345360 Li\n0.865664 0.030880 0.654636 Li\n0.179922 0.436345 0.232585 Li\n0.820044 0.563620 0.767451 Li\n0.309912 0.679697 0.557219 Co\n0.690075 0.320311 0.442776 Co\n0.236007 0.191517 0.909050 Co\n0.764026 0.808468 0.090938 Co\n0.242408 0.285164 0.575505 P\n0.757572 0.714836 0.424497 P\n0.240270 0.792553 0.890414 P\n0.759749 0.207449 0.109588 P\n0.060642 0.177254 0.485619 O\n0.939352 0.822755 0.514378 O\n0.011415 0.282893 0.086648 O\n0.988608 0.717080 0.913345 O\n0.120412 0.347608 0.731056 O\n0.879541 0.652387 0.268944 O\n0.264565 0.441238 0.474112 O\n0.735407 0.558778 0.525883 O\n0.148029 0.974577 0.817631 O\n0.851984 0.025396 0.182353 O\n0.421632 0.671097 0.776179 O\n0.578400 0.328898 0.223828 O\n0.391153 0.807949 0.044287 O\n0.608875 0.192091 0.955701 O\n0.530667 0.180779 0.592108 O\n0.469315 0.819246 0.407909 O\n","nsites":28,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":3.0575094592996734,"density_atomic":0.08013231376797075,"volume":349.42208309466946,"volume_molar":7.515246318030414,"formula_full":"Li4 Co4 P4 O16","formula_reduced":"LiCoPO4","formula_anonymous":"ABCD4","energy":-203.17296444,"energy_per_atom":-7.256177301428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.62896444,"band_gap":2.6409,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0112278,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.435000Z","spacegroup":2},{"id":"mp-755856","created_at":"2022-09-04T14:41:34.676239Z","structure_string":"Mg4 Sn2 O8\n1.0\n3.096980 0.000000 0.000000\n0.000000 5.239578 0.000000\n0.000000 0.000000 9.618862\nMg Sn O\n4 2 8\ndirect\n0.500000 0.052267 0.315454 Mg\n0.500000 0.447733 0.815454 Mg\n0.500000 0.552267 0.184546 Mg\n0.500000 0.947733 0.684546 Mg\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.168141 0.803609 O\n0.500000 0.250865 0.050803 O\n0.500000 0.249135 0.550803 O\n0.000000 0.331859 0.303609 O\n0.000000 0.668141 0.696391 O\n0.500000 0.750865 0.449197 O\n0.500000 0.749135 0.949197 O\n0.000000 0.831859 0.196391 O\n","nsites":14,"nelements":3,"elements":["Mg","Sn","O"],"chemical_system":"Mg-O-Sn","density":4.921861245110416,"density_atomic":0.08969528847195697,"volume":156.08400662401647,"volume_molar":6.713998987675712,"formula_full":"Mg4 Sn2 O8","formula_reduced":"Mg2SnO4","formula_anonymous":"AB2C4","energy":-90.41325614,"energy_per_atom":-6.458089724285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.91725614,"band_gap":2.6409,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0033931,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.990000Z","spacegroup":55},{"id":"mp-1224160","created_at":"2022-09-04T14:45:21.350465Z","structure_string":"K2 Sr1 Ti10 O22\n1.0\n1.907145 7.775123 0.000000\n-1.907145 7.775123 0.000000\n0.000000 3.544670 15.295149\nK Sr Ti O\n2 1 10 22\ndirect\n0.515948 0.515948 0.453863 K\n0.442520 0.442520 0.158673 K\n0.557291 0.557291 0.836557 Sr\n0.860768 0.860768 0.357862 Ti\n0.137811 0.137811 0.635065 Ti\n0.799211 0.799211 0.564742 Ti\n0.203774 0.203774 0.432599 Ti\n0.835364 0.835364 0.962432 Ti\n0.165711 0.165711 0.037208 Ti\n0.901541 0.901541 0.751900 Ti\n0.098272 0.098272 0.242318 Ti\n0.756309 0.756309 0.163745 Ti\n0.244991 0.244991 0.836551 Ti\n0.699287 0.699287 0.040104 O\n0.300753 0.300753 0.956597 O\n0.732363 0.732363 0.442140 O\n0.266092 0.266092 0.558530 O\n0.939434 0.939434 0.880577 O\n0.067415 0.067415 0.122897 O\n0.664817 0.664817 0.636611 O\n0.334591 0.334591 0.365965 O\n0.857803 0.857803 0.651431 O\n0.141931 0.141931 0.349940 O\n0.861892 0.861892 0.069792 O\n0.133919 0.133919 0.928825 O\n0.813804 0.813804 0.248805 O\n0.180046 0.180046 0.757409 O\n0.979529 0.979529 0.296396 O\n0.022527 0.022527 0.711507 O\n0.892871 0.892871 0.470242 O\n0.104944 0.104944 0.529041 O\n0.772644 0.772644 0.844866 O\n0.228217 0.228217 0.153202 O\n0.625230 0.625230 0.229887 O\n0.377080 0.377080 0.772420 O\n","nsites":35,"nelements":4,"elements":["K","Sr","Ti","O"],"chemical_system":"K-O-Sr-Ti","density":3.6478764264674415,"density_atomic":0.07716020179768512,"volume":453.60171674732493,"volume_molar":7.804723963514401,"formula_full":"K2 Sr1 Ti10 O22","formula_reduced":"K2SrTi10O22","formula_anonymous":"AB2C10D22","energy":-311.18407679,"energy_per_atom":-8.890973622571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.07007679,"band_gap":2.6409,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.73e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.551000Z","spacegroup":8},{"id":"mp-753732","created_at":"2022-09-04T14:40:27.999553Z","structure_string":"Li8 Co4 Si4 O16\n1.0\n0.074044 -5.452973 -4.949281\n-0.066275 5.346127 -5.070654\n6.324425 0.030617 -4.989511\nLi Co Si O\n8 4 4 16\ndirect\n0.332848 0.161032 0.000918 Li\n0.832842 0.661043 0.000921 Li\n0.657206 0.838054 0.500735 Li\n0.157200 0.338060 0.500736 Li\n0.447745 0.796330 0.252394 Li\n0.947734 0.296329 0.252399 Li\n0.291436 0.952309 0.752432 Li\n0.791444 0.452319 0.752425 Li\n0.076112 0.910765 0.507480 Co\n0.906036 0.080510 0.007242 Co\n0.576105 0.410755 0.507485 Co\n0.406031 0.580505 0.007242 Co\n0.529528 0.207109 0.252587 Si\n0.029504 0.707106 0.252591 Si\n0.202448 0.533786 0.752843 Si\n0.702442 0.033784 0.752846 Si\n0.119839 0.940098 0.036494 O\n0.619857 0.440113 0.036525 O\n0.435675 0.624400 0.536930 O\n0.935674 0.124396 0.536914 O\n0.228078 0.615497 0.251826 O\n0.728093 0.115488 0.251841 O\n0.110715 0.732198 0.752280 O\n0.610730 0.232202 0.752266 O\n0.360343 0.045209 0.253461 O\n0.860329 0.545225 0.253453 O\n0.040593 0.364935 0.753381 O\n0.540604 0.864932 0.753369 O\n0.903005 0.723837 0.469010 O\n0.403005 0.223852 0.468997 O\n0.219008 0.406874 0.969390 O\n0.718972 0.906899 0.969408 O\n","nsites":32,"nelements":4,"elements":["Li","Co","Si","O"],"chemical_system":"Co-Li-O-Si","density":3.201994317682924,"density_atomic":0.09355032082276155,"volume":342.0618948023334,"volume_molar":6.437327747287389,"formula_full":"Li8 Co4 Si4 O16","formula_reduced":"Li2CoSiO4","formula_anonymous":"ABC2D4","energy":-225.03029204,"energy_per_atom":-7.03219662625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.48629204,"band_gap":2.6410000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.693000Z","spacegroup":7},{"id":"mp-780294","created_at":"2022-09-04T14:40:35.968451Z","structure_string":"Li6 Mn4 Fe2 B6 O18\n1.0\n3.174494 0.000000 0.000000\n0.000000 8.261809 0.000000\n0.000000 0.011143 14.290647\nLi Mn Fe B O\n6 4 2 6 18\ndirect\n0.500000 0.707261 0.990427 Li\n0.500000 0.658914 0.357895 Li\n0.500000 0.633326 0.651099 Li\n0.500000 0.207247 0.491668 Li\n0.500000 0.159845 0.857792 Li\n0.500000 0.134304 0.150059 Li\n0.000000 0.864826 0.506207 Mn\n0.000000 0.807297 0.180097 Mn\n0.000000 0.326658 0.314351 Mn\n0.000000 0.308557 0.679718 Mn\n0.000000 0.824285 0.816586 Fe\n0.000000 0.363433 0.003798 Fe\n0.500000 0.998331 0.668044 B\n0.000000 0.001784 0.999811 B\n0.500000 0.000124 0.333322 B\n0.500000 0.499213 0.164933 B\n0.000000 0.499990 0.500015 B\n0.500000 0.501010 0.834353 B\n0.500000 0.990018 0.430221 O\n0.500000 0.982375 0.764958 O\n0.500000 0.860870 0.611607 O\n0.500000 0.859694 0.279865 O\n0.000000 0.848965 0.958048 O\n0.500000 0.652846 0.124267 O\n0.500000 0.652799 0.791936 O\n0.000000 0.635631 0.441911 O\n0.000000 0.519071 0.596946 O\n0.500000 0.488289 0.931422 O\n0.500000 0.485429 0.262230 O\n0.500000 0.362107 0.108719 O\n0.500000 0.362002 0.779892 O\n0.000000 0.345175 0.461180 O\n0.500000 0.151168 0.626488 O\n0.500000 0.150332 0.289693 O\n0.000000 0.140247 0.943872 O\n0.000000 0.016575 0.096574 O\n","nsites":36,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.2162536634379775,"density_atomic":0.0960507915039012,"volume":374.8017006037668,"volume_molar":6.269746105897946,"formula_full":"Li6 Mn4 Fe2 B6 O18","formula_reduced":"Li3Mn2Fe(BO3)3","formula_anonymous":"AB2C3D3E9","energy":-282.60474929000003,"energy_per_atom":-7.850131924722223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-259.05474929,"band_gap":2.6411,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.843000Z","spacegroup":6},{"id":"mp-1180452","created_at":"2022-09-04T14:39:23.007143Z","structure_string":"Lu2 V2 O8\n1.0\n-3.464963 0.000000 3.578484\n-3.576674 0.000000 -3.578484\n3.520818 -5.520923 0.000000\nLu V O\n2 2 8\ndirect\n0.624166 0.874166 0.748333 Lu\n0.375834 0.125834 0.251667 Lu\n0.130081 0.380081 0.760162 V\n0.869919 0.619919 0.239838 V\n0.213538 0.853197 0.410670 O\n0.302869 0.442528 0.589330 O\n0.949251 0.281714 0.084416 O\n0.786462 0.146803 0.589330 O\n0.635165 0.802702 0.084416 O\n0.050749 0.718286 0.915584 O\n0.364835 0.197298 0.915584 O\n0.697131 0.557472 0.410670 O\n","nsites":12,"nelements":3,"elements":["Lu","V","O"],"chemical_system":"Lu-O-V","density":6.920732187875301,"density_atomic":0.08625749526219156,"volume":139.11834517712742,"volume_molar":6.981585474624404,"formula_full":"Lu2 V2 O8","formula_reduced":"LuVO4","formula_anonymous":"ABC4","energy":-104.90841884,"energy_per_atom":-8.742368236666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.01241883999998,"band_gap":2.6411000000000007,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.46e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.887000Z","spacegroup":15},{"id":"mp-779520","created_at":"2022-09-04T14:42:16.501693Z","structure_string":"Li8 Mn7 Fe1 B8 O24\n1.0\n5.240255 0.000000 0.000000\n0.080954 6.075435 0.000000\n0.327085 2.169586 16.174970\nLi Mn Fe B O\n8 7 1 8 24\ndirect\n0.846660 0.063728 0.389375 Li\n0.151619 0.435452 0.109576 Li\n0.651595 0.186830 0.859481 Li\n0.348422 0.313168 0.640857 Li\n0.651540 0.688662 0.357999 Li\n0.348246 0.812339 0.141227 Li\n0.847773 0.563765 0.891416 Li\n0.151417 0.936453 0.609203 Li\n0.668411 0.271675 0.041488 Mn\n0.167849 0.024017 0.790282 Mn\n0.332087 0.226933 0.459965 Mn\n0.166427 0.522257 0.290266 Mn\n0.831960 0.475507 0.709757 Mn\n0.667892 0.774100 0.540095 Mn\n0.331974 0.725118 0.959868 Mn\n0.839613 0.976276 0.208654 Fe\n0.329047 0.037758 0.296588 B\n0.829569 0.285384 0.547750 B\n0.670714 0.462734 0.202706 B\n0.170441 0.214672 0.952394 B\n0.830775 0.784952 0.049203 B\n0.329876 0.535292 0.797948 B\n0.169329 0.715597 0.451700 B\n0.670062 0.964665 0.702095 B\n0.589423 0.012157 0.307827 O\n0.184129 0.169201 0.344599 O\n0.713061 0.169616 0.491060 O\n0.288723 0.330234 0.008617 O\n0.787257 0.081009 0.758389 O\n0.818729 0.327224 0.156429 O\n0.317911 0.079741 0.905771 O\n0.089834 0.262836 0.561393 O\n0.410211 0.486763 0.188986 O\n0.909937 0.237623 0.939386 O\n0.681207 0.419870 0.594052 O\n0.212858 0.419312 0.741522 O\n0.787530 0.578414 0.259173 O\n0.318005 0.581025 0.405233 O\n0.091384 0.762830 0.061565 O\n0.589790 0.513230 0.811431 O\n0.909619 0.738061 0.438330 O\n0.683455 0.918664 0.097202 O\n0.180993 0.670186 0.844221 O\n0.205142 0.925839 0.239752 O\n0.711913 0.672002 0.992192 O\n0.287024 0.830402 0.508451 O\n0.818472 0.829506 0.655836 O\n0.410094 0.986923 0.688693 O\n","nsites":48,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.116294828486586,"density_atomic":0.09321116879299984,"volume":514.9597480812278,"volume_molar":6.4607501847485285,"formula_full":"Li8 Mn7 Fe1 B8 O24","formula_reduced":"Li8Mn7Fe(BO3)8","formula_anonymous":"AB7C8D8E24","energy":-379.66055918,"energy_per_atom":-7.9095949829166665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-349.24055918,"band_gap":2.6413,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":39.0323214,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.008000Z","spacegroup":1},{"id":"mp-753478","created_at":"2022-09-04T14:44:55.146172Z","structure_string":"Bi4 O4 F4\n1.0\n5.773102 0.000000 0.000000\n0.000000 5.817735 0.000000\n0.000000 0.861015 5.976401\nBi O F\n4 4 4\ndirect\n0.519443 0.289398 0.300243 Bi\n0.980557 0.789398 0.300243 Bi\n0.019443 0.210602 0.699757 Bi\n0.480557 0.710602 0.699757 Bi\n0.247491 0.010407 0.469360 O\n0.252509 0.510407 0.469360 O\n0.747491 0.489593 0.530640 O\n0.752509 0.989593 0.530640 O\n0.816124 0.135206 0.060763 F\n0.683876 0.635206 0.060763 F\n0.316124 0.364794 0.939237 F\n0.183876 0.864794 0.939237 F\n","nsites":12,"nelements":3,"elements":["Bi","O","F"],"chemical_system":"Bi-F-O","density":8.073413969786634,"density_atomic":0.05978308888120453,"volume":200.72566045968784,"volume_molar":10.07331817860172,"formula_full":"Bi4 O4 F4","formula_reduced":"BiOF","formula_anonymous":"ABC","energy":-69.36514025000001,"energy_per_atom":-5.780428354166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.76914025,"band_gap":2.6413,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.011000Z","spacegroup":14},{"id":"mp-1223445","created_at":"2022-09-04T14:41:35.425911Z","structure_string":"K1 Nb4 Bi5 O18\n1.0\n12.638598 2.803839 0.000000\n-12.638598 2.803839 0.000000\n0.000000 0.099976 5.614775\nK Nb Bi O\n1 4 5 18\ndirect\n0.738262 0.738262 0.530030 K\n0.823713 0.650191 0.039764 Nb\n0.650191 0.823713 0.039764 Nb\n0.156049 0.330580 0.534577 Nb\n0.330580 0.156049 0.534577 Nb\n0.203413 0.203413 0.986969 Bi\n0.082000 0.484092 0.997054 Bi\n0.484092 0.082000 0.997054 Bi\n0.918130 0.517027 0.495944 Bi\n0.517027 0.918130 0.495944 Bi\n0.853650 0.531934 0.069392 O\n0.531934 0.853650 0.069392 O\n0.154172 0.474655 0.570434 O\n0.474655 0.154172 0.570434 O\n0.967541 0.135441 0.859374 O\n0.135441 0.967541 0.859374 O\n0.056712 0.876220 0.349259 O\n0.876220 0.056712 0.349259 O\n0.764328 0.259093 0.772946 O\n0.259093 0.764328 0.772946 O\n0.240223 0.743707 0.272635 O\n0.743707 0.240223 0.272635 O\n0.459351 0.610437 0.784410 O\n0.610437 0.459351 0.784410 O\n0.538602 0.397398 0.277481 O\n0.397398 0.538602 0.277481 O\n0.815434 0.815434 0.055405 O\n0.217647 0.217647 0.595054 O\n","nsites":28,"nelements":4,"elements":["K","Nb","Bi","O"],"chemical_system":"Bi-K-Nb-O","density":7.275877411314416,"density_atomic":0.07036289594937598,"volume":397.93700390252803,"volume_molar":8.558688039691763,"formula_full":"K1 Nb4 Bi5 O18","formula_reduced":"KNb4Bi5O18","formula_anonymous":"AB4C5D18","energy":-217.60006716,"energy_per_atom":-7.77143097,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-205.23406716,"band_gap":2.6414,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001465,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.095000Z","spacegroup":8},{"id":"mp-759258","created_at":"2022-09-04T14:44:07.992641Z","structure_string":"Li4 Fe8 O4 F12\n1.0\n6.305068 0.000000 0.000000\n0.000000 5.233782 0.000000\n0.000000 0.443676 10.637228\nLi Fe O F\n4 8 4 12\ndirect\n0.500000 0.977363 0.831989 Li\n0.000000 0.038305 0.675285 Li\n0.000000 0.914592 0.302986 Li\n0.500000 0.062167 0.173385 Li\n0.000000 0.509646 0.009618 Fe\n0.500000 0.497423 0.991318 Fe\n0.745801 0.513993 0.740162 Fe\n0.254199 0.513993 0.740162 Fe\n0.000000 0.504537 0.501243 Fe\n0.500000 0.029911 0.489060 Fe\n0.741945 0.476451 0.264335 Fe\n0.258055 0.476451 0.264335 Fe\n0.500000 0.338186 0.823975 O\n0.000000 0.682246 0.660779 O\n0.500000 0.257259 0.330772 O\n0.000000 0.646048 0.182103 O\n0.742101 0.747116 0.912196 F\n0.257899 0.747116 0.912196 F\n0.000000 0.294130 0.846312 F\n0.500000 0.807247 0.661455 F\n0.767059 0.230425 0.588614 F\n0.232941 0.230425 0.588614 F\n0.762178 0.764121 0.407798 F\n0.237822 0.764121 0.407798 F\n0.000000 0.249575 0.357525 F\n0.500000 0.709128 0.158154 F\n0.730237 0.259013 0.088914 F\n0.269763 0.259013 0.088914 F\n","nsites":28,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.6260080684215064,"density_atomic":0.07976716539422991,"volume":351.02162477025195,"volume_molar":7.5496486934655715,"formula_full":"Li4 Fe8 O4 F12","formula_reduced":"LiFe2OF3","formula_anonymous":"ABC2D3","energy":-183.77658473,"energy_per_atom":-6.563449454642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.43658473,"band_gap":2.6416,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":31.9999736,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.172000Z","spacegroup":6},{"id":"mp-1184546","created_at":"2022-09-04T14:40:54.392002Z","structure_string":"Ho1 B1 O3\n1.0\n3.472834 0.000000 0.000000\n0.000000 3.472834 0.000000\n0.000000 0.000000 3.472834\nHo B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ho","B","O"],"chemical_system":"B-Ho-O","density":8.870328944168055,"density_atomic":0.1193762494612987,"volume":41.8843783630594,"volume_molar":5.0446724429488405,"formula_full":"Ho1 B1 O3","formula_reduced":"HoBO3","formula_anonymous":"ABC3","energy":-39.55089954,"energy_per_atom":-7.910179908000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.48989954,"band_gap":2.6416000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013728,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.091000Z","spacegroup":221},{"id":"mp-1661932","created_at":"2022-09-04T14:39:06.690003Z","structure_string":"Li6 Cr2 P4 O16\n1.0\n8.216603 0.000146 0.014378\n0.000089 5.409778 0.000472\n-0.067339 0.000532 6.251065\nLi Cr P O\n6 2 4 16\ndirect\n0.077544 0.750033 0.271513 Li\n0.248231 0.249994 0.503201 Li\n0.424144 0.750020 0.723873 Li\n0.575839 0.249984 0.276126 Li\n0.751763 0.749966 0.496788 Li\n0.922461 0.249994 0.728489 Li\n0.250366 0.249953 0.000602 Cr\n0.749598 0.750049 0.999519 Cr\n0.100471 0.750010 0.765010 P\n0.400070 0.749994 0.232123 P\n0.599942 0.250012 0.767868 P\n0.899567 0.249995 0.234958 P\n0.991951 0.749996 0.966890 O\n0.001238 0.249747 0.437820 O\n0.218211 0.518537 0.771451 O\n0.218212 0.981474 0.771463 O\n0.281964 0.518764 0.228346 O\n0.281981 0.981244 0.228308 O\n0.503978 0.750013 0.433046 O\n0.493028 0.250000 0.971339 O\n0.506972 0.750005 0.028686 O\n0.496012 0.250004 0.566952 O\n0.718033 0.018754 0.771662 O\n0.718033 0.481254 0.771668 O\n0.781797 0.018532 0.228480 O\n0.781778 0.481477 0.228560 O\n0.998728 0.750186 0.562178 O\n0.008085 0.250011 0.033080 O\n","nsites":28,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":3.140562320878769,"density_atomic":0.10076833579823295,"volume":277.8650632482808,"volume_molar":5.976223297026607,"formula_full":"Li6 Cr2 P4 O16","formula_reduced":"Li3Cr(PO4)2","formula_anonymous":"AB2C3D8","energy":-206.3262338,"energy_per_atom":-7.368794064285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.3362338,"band_gap":2.6417,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0019689,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.048000Z","spacegroup":12}]}