{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=71","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=69","results":[{"id":"mp-862933","created_at":"2022-09-04T14:41:35.910666Z","structure_string":"Pm1 Mg1 Au2\n1.0\n0.000000 3.540213 3.540213\n3.540213 0.000000 3.540213\n3.540213 3.540213 0.000000\nPm Mg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Pm","Mg","Au"],"chemical_system":"Au-Mg-Pm","density":10.539572080300967,"density_atomic":0.04507563132358242,"volume":88.7397443484569,"volume_molar":13.360080786820548,"formula_full":"Pm1 Mg1 Au2","formula_reduced":"PmMgAu2","formula_anonymous":"ABC2","energy":-15.88752734,"energy_per_atom":-3.971881835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.88752734,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0126825,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.322000Z","spacegroup":225},{"id":"mp-1183697","created_at":"2022-09-04T14:41:35.922301Z","structure_string":"Cd1 Rh2 Pb1\n1.0\n0.000000 3.300536 3.300536\n3.300536 0.000000 3.300536\n3.300536 3.300536 0.000000\nCd Rh Pb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.500001 0.500001 0.500001 Rh\n0.000000 0.000000 0.000000 Rh\n0.750000 0.750000 0.750000 Pb\n","nsites":4,"nelements":3,"elements":["Cd","Rh","Pb"],"chemical_system":"Cd-Pb-Rh","density":12.133160224546003,"density_atomic":0.0556258388579845,"volume":71.9090279287688,"volume_molar":10.826157202545424,"formula_full":"Cd1 Rh2 Pb1","formula_reduced":"CdRh2Pb","formula_anonymous":"ABC2","energy":-19.64767152,"energy_per_atom":-4.91191788,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.64767152,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002475,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.780000Z","spacegroup":225},{"id":"mp-770345","created_at":"2022-09-04T14:41:35.931596Z","structure_string":"Li12 V4 B8 O24\n1.0\n7.752785 0.000000 0.000000\n0.000000 6.047658 0.000000\n0.000000 5.119883 9.663286\nLi V B O\n12 4 8 24\ndirect\n0.706476 0.605179 0.873567 Li\n0.803109 0.046014 0.433307 Li\n0.552948 0.719446 0.615600 Li\n0.052948 0.280554 0.884400 Li\n0.206476 0.394821 0.626433 Li\n0.696891 0.046014 0.933307 Li\n0.303109 0.953986 0.066693 Li\n0.793524 0.605179 0.373567 Li\n0.947052 0.719446 0.115600 Li\n0.447052 0.280554 0.384400 Li\n0.196891 0.953986 0.566693 Li\n0.293524 0.394821 0.126433 Li\n0.627428 0.089990 0.173598 V\n0.127428 0.910010 0.326402 V\n0.872572 0.089990 0.673598 V\n0.372572 0.910010 0.826402 V\n0.909901 0.634394 0.625282 B\n0.942793 0.193643 0.111769 B\n0.409901 0.365606 0.874718 B\n0.442793 0.806357 0.388231 B\n0.557207 0.193643 0.611769 B\n0.590099 0.634394 0.125282 B\n0.057207 0.806357 0.888231 B\n0.090099 0.365606 0.374718 B\n0.793371 0.758675 0.669300 O\n0.452240 0.613688 0.793555 O\n0.981953 0.770355 0.495751 O\n0.823143 0.276028 0.007087 O\n0.880600 0.119887 0.243995 O\n0.481953 0.229645 0.004249 O\n0.113068 0.147819 0.099643 O\n0.613068 0.852181 0.400357 O\n0.380600 0.880113 0.256005 O\n0.323143 0.723972 0.492913 O\n0.952240 0.386312 0.706445 O\n0.293371 0.241325 0.830700 O\n0.706629 0.758675 0.169300 O\n0.047760 0.613688 0.293555 O\n0.676857 0.276028 0.507087 O\n0.619400 0.119887 0.743995 O\n0.386932 0.147819 0.599643 O\n0.886932 0.852181 0.900357 O\n0.518047 0.770355 0.995751 O\n0.119400 0.880113 0.756005 O\n0.176857 0.723972 0.992913 O\n0.018047 0.229645 0.504249 O\n0.547760 0.386312 0.206445 O\n0.206629 0.241325 0.330700 O\n","nsites":48,"nelements":4,"elements":["Li","V","B","O"],"chemical_system":"B-Li-O-V","density":2.7763873325543256,"density_atomic":0.10594279838381027,"volume":453.0746849455995,"volume_molar":5.684332349031361,"formula_full":"Li12 V4 B8 O24","formula_reduced":"Li3V(BO3)2","formula_anonymous":"AB2C3D6","energy":-355.70971084,"energy_per_atom":-7.410618975833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-332.42171084,"band_gap":1.9767,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.9995047,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.387000Z","spacegroup":14},{"id":"mp-998901","created_at":"2022-09-04T14:41:35.935773Z","structure_string":"Th1 C1\n1.0\n3.192985 0.000000 0.000000\n0.000000 3.192985 0.000000\n0.000000 0.000000 3.192985\nTh C\n1 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 C\n","nsites":2,"nelements":2,"elements":["Th","C"],"chemical_system":"C-Th","density":12.449017226025996,"density_atomic":0.061438324115804736,"volume":32.55297127295028,"volume_molar":9.80192875809715,"formula_full":"Th1 C1","formula_reduced":"ThC","formula_anonymous":"AB","energy":-15.90485875,"energy_per_atom":-7.952429375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.90485875,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.79e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.226000Z","spacegroup":221},{"id":"mp-1265975","created_at":"2022-09-04T14:41:35.939838Z","structure_string":"V4 Si8 O24\n1.0\n-0.030254 -0.032982 -5.367110\n9.085153 -0.070679 2.106540\n0.081402 -8.735907 -0.054282\nV Si O\n4 8 24\ndirect\n0.002867 0.749017 0.648047 V\n0.988829 0.250030 0.351231 V\n0.501890 0.248954 0.147988 V\n0.489962 0.750101 0.851252 V\n0.295528 0.049685 0.837191 Si\n0.795626 0.549681 0.337498 Si\n0.196010 0.449327 0.661796 Si\n0.695923 0.949294 0.162157 Si\n0.697147 0.452335 0.831285 Si\n0.197159 0.952465 0.331555 Si\n0.794240 0.046593 0.667762 Si\n0.294500 0.546692 0.167973 Si\n0.928333 0.389571 0.758078 O\n0.428207 0.889498 0.258393 O\n0.563026 0.109530 0.740738 O\n0.063220 0.609430 0.241118 O\n0.428012 0.394392 0.745111 O\n0.927801 0.894368 0.245634 O\n0.063383 0.104556 0.753963 O\n0.563547 0.604616 0.254277 O\n0.322659 0.110432 0.009469 O\n0.822826 0.610409 0.509762 O\n0.168866 0.388489 0.489574 O\n0.669183 0.888541 0.989864 O\n0.657031 0.387045 0.008756 O\n0.157564 0.887438 0.509175 O\n0.834211 0.111651 0.490185 O\n0.334937 0.612009 0.990526 O\n0.274864 0.135610 0.319984 O\n0.775264 0.635550 0.819962 O\n0.216466 0.363491 0.179232 O\n0.716628 0.863430 0.679196 O\n0.730818 0.365760 0.321003 O\n0.231456 0.865772 0.820874 O\n0.760288 0.133222 0.178434 O\n0.260910 0.633259 0.678228 O\n","nsites":36,"nelements":3,"elements":["V","Si","O"],"chemical_system":"O-Si-V","density":3.171606672514011,"density_atomic":0.08463378828525776,"volume":425.36203009916295,"volume_molar":7.11552783115699,"formula_full":"V4 Si8 O24","formula_reduced":"V(SiO3)2","formula_anonymous":"AB2C6","energy":-304.23075199,"energy_per_atom":-8.450854221944445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-280.94275199,"band_gap":1.5244,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0015856,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.103000Z","spacegroup":2},{"id":"mp-1176893","created_at":"2022-09-04T14:41:35.942868Z","structure_string":"Li7 V4 P6 O24\n1.0\n8.726767 0.000000 0.000000\n4.271943 7.642050 0.000000\n4.278086 2.478204 7.231643\nLi V P O\n7 4 6 24\ndirect\n0.230838 0.709422 0.884782 Li\n0.285739 0.115407 0.770774 Li\n0.114589 0.767760 0.285956 Li\n0.498302 0.499165 0.493908 Li\n0.883736 0.231407 0.707994 Li\n0.709292 0.883921 0.228657 Li\n0.767656 0.286124 0.114446 Li\n0.642514 0.641314 0.641439 V\n0.356436 0.356863 0.358284 V\n0.853031 0.852301 0.853776 V\n0.146354 0.147042 0.145750 V\n0.042171 0.453633 0.751923 P\n0.545107 0.248649 0.953948 P\n0.249794 0.954570 0.545492 P\n0.751444 0.043426 0.454079 P\n0.454558 0.751584 0.043853 P\n0.954999 0.546111 0.248434 P\n0.478376 0.688726 0.893432 O\n0.628744 0.778351 0.013348 O\n0.032674 0.280655 0.932447 O\n0.891764 0.477082 0.688560 O\n0.007738 0.625267 0.784618 O\n0.692436 0.893110 0.471743 O\n0.065123 0.960591 0.717310 O\n0.369845 0.223063 0.984899 O\n0.242332 0.399780 0.615215 O\n0.717675 0.065819 0.962153 O\n0.602288 0.384596 0.754506 O\n0.230654 0.987981 0.367281 O\n0.386129 0.753962 0.603130 O\n0.616393 0.242970 0.395547 O\n0.771806 0.010925 0.631552 O\n0.281765 0.934470 0.033381 O\n0.397359 0.616815 0.242908 O\n0.753606 0.599908 0.386658 O\n0.936854 0.034141 0.282686 O\n0.308369 0.102393 0.531515 O\n0.989366 0.373044 0.217998 O\n0.102466 0.525350 0.311930 O\n0.962618 0.719331 0.068034 O\n0.524203 0.310247 0.102829 O\n","nsites":41,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.8308469554686493,"density_atomic":0.085012663426861,"volume":482.28109021985364,"volume_molar":7.08381612485419,"formula_full":"Li7 V4 P6 O24","formula_reduced":"Li7V4(PO4)6","formula_anonymous":"A4B6C7D24","energy":-310.27987939,"energy_per_atom":-7.567801936341464,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.99187939,"band_gap":0.0415999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0021901,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.073000Z","spacegroup":1},{"id":"mp-753031","created_at":"2022-09-04T14:41:35.948073Z","structure_string":"Li1 Cu5 F12\n1.0\n3.317035 -3.371428 0.000000\n3.317035 3.371428 0.000000\n0.000000 0.000000 9.108128\nLi Cu F\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.327599 Cu\n0.000000 0.000000 0.672401 Cu\n0.500000 0.500000 0.163552 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.836448 Cu\n0.191655 0.191655 0.500000 F\n0.198086 0.198086 0.171023 F\n0.198086 0.198086 0.828977 F\n0.692012 0.307988 0.332122 F\n0.692012 0.307988 0.667878 F\n0.689973 0.310027 0.000000 F\n0.310027 0.689973 0.000000 F\n0.307988 0.692012 0.332122 F\n0.307988 0.692012 0.667878 F\n0.801914 0.801914 0.171023 F\n0.801914 0.801914 0.828977 F\n0.808345 0.808345 0.500000 F\n","nsites":18,"nelements":3,"elements":["Li","Cu","F"],"chemical_system":"Cu-F-Li","density":4.504822175110201,"density_atomic":0.0883587250616202,"volume":203.71502630268873,"volume_molar":6.8155586851216325,"formula_full":"Li1 Cu5 F12","formula_reduced":"LiCu5F12","formula_anonymous":"AB5C12","energy":-80.65425676,"energy_per_atom":-4.480792042222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.11025676,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0004091,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.463000Z","spacegroup":65},{"id":"mp-759283","created_at":"2022-09-04T14:41:35.955048Z","structure_string":"Fe4 O4 F4\n1.0\n3.122415 0.000000 0.000000\n0.000000 4.751127 0.000000\n0.000000 0.017443 9.437230\nFe O F\n4 4 4\ndirect\n0.000000 0.975967 0.988829 Fe\n0.000000 0.977887 0.487880 Fe\n0.500000 0.483543 0.277579 Fe\n0.500000 0.548623 0.739023 Fe\n0.500000 0.805100 0.400467 O\n0.500000 0.806096 0.905350 O\n0.000000 0.706623 0.651403 O\n0.000000 0.297912 0.350264 O\n0.000000 0.695115 0.151822 F\n0.000000 0.307311 0.848853 F\n0.500000 0.195484 0.094171 F\n0.500000 0.200341 0.604358 F\n","nsites":12,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.3099061385311375,"density_atomic":0.08571354204179385,"volume":140.0012146756088,"volume_molar":7.025891844562449,"formula_full":"Fe4 O4 F4","formula_reduced":"FeOF","formula_anonymous":"ABC","energy":-86.26355862,"energy_per_atom":-7.188629885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.64355862,"band_gap":0.4687,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.584000Z","spacegroup":6},{"id":"mp-1177151","created_at":"2022-09-04T14:41:35.959461Z","structure_string":"Li10 Fe4 P4 C4 O28\n1.0\n6.398594 0.000000 0.000000\n1.020034 9.418112 0.000000\n0.692095 4.673895 9.107267\nLi Fe P C O\n10 4 4 4 28\ndirect\n0.257000 0.895695 0.699795 Li\n0.522585 0.761491 0.548806 Li\n0.053714 0.748921 0.513176 Li\n0.946286 0.251079 0.486824 Li\n0.477415 0.238509 0.451194 Li\n0.501684 0.761686 0.060222 Li\n0.743000 0.104305 0.300205 Li\n0.042341 0.743897 0.015858 Li\n0.957659 0.256103 0.984142 Li\n0.498316 0.238314 0.939778 Li\n0.246378 0.343330 0.668926 Fe\n0.753622 0.656670 0.331074 Fe\n0.243588 0.336945 0.179387 Fe\n0.756412 0.663055 0.820613 Fe\n0.743742 0.413222 0.680100 P\n0.256258 0.586778 0.319900 P\n0.740206 0.423890 0.181220 P\n0.259794 0.576110 0.818780 P\n0.757000 0.953376 0.613869 C\n0.753150 0.949248 0.142053 C\n0.243000 0.046624 0.386131 C\n0.246850 0.050752 0.857947 C\n0.735677 0.924980 0.747692 O\n0.442463 0.686102 0.764610 O\n0.792602 0.831543 0.582961 O\n0.201109 0.546272 0.686805 O\n0.257506 0.902681 0.498495 O\n0.555078 0.309547 0.719513 O\n0.684761 0.577521 0.543952 O\n0.269472 0.096273 0.716519 O\n0.940073 0.332037 0.635067 O\n0.730528 0.903727 0.283481 O\n0.315239 0.422479 0.456048 O\n0.059927 0.667963 0.364933 O\n0.444922 0.690453 0.280487 O\n0.742494 0.097319 0.501505 O\n0.798891 0.453728 0.313195 O\n0.207398 0.168457 0.417039 O\n0.783690 0.830242 0.107492 O\n0.208740 0.566981 0.184058 O\n0.255996 0.904605 0.950767 O\n0.557537 0.313898 0.235390 O\n0.683898 0.584789 0.047967 O\n0.264323 0.075020 0.252308 O\n0.926611 0.324025 0.149296 O\n0.316102 0.415211 0.952033 O\n0.073389 0.675975 0.850704 O\n0.744004 0.095395 0.049233 O\n0.791260 0.433019 0.815942 O\n0.216310 0.169758 0.892508 O\n","nsites":50,"nelements":5,"elements":["Li","Fe","P","C","O"],"chemical_system":"C-Fe-Li-O-P","density":2.761505615617296,"density_atomic":0.09110317865093294,"volume":548.828270762954,"volume_molar":6.610242199203803,"formula_full":"Li10 Fe4 P4 C4 O28","formula_reduced":"Li5Fe2P2(CO7)2","formula_anonymous":"A2B2C2D5E14","energy":-365.83217148,"energy_per_atom":-7.3166434296,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-337.57217148,"band_gap":1.6246999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.999929,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.017000Z","spacegroup":2},{"id":"mp-1220936","created_at":"2022-09-04T14:41:35.961944Z","structure_string":"Na4 Sc4 Sn4 O16\n1.0\n3.175284 0.000000 0.000000\n0.000000 9.630136 0.000000\n0.000000 0.000000 11.326776\nNa Sc Sn O\n4 4 4 16\ndirect\n0.500000 0.254333 0.896769 Na\n0.500000 0.754333 0.103231 Na\n0.000000 0.742407 0.600660 Na\n0.000000 0.242407 0.399340 Na\n0.500000 0.430683 0.136003 Sc\n0.500000 0.930683 0.863997 Sc\n0.500000 0.419860 0.643433 Sc\n0.500000 0.919860 0.356567 Sc\n0.000000 0.561933 0.363329 Sn\n0.000000 0.061933 0.636671 Sn\n0.000000 0.583158 0.853966 Sn\n0.000000 0.083158 0.146034 Sn\n0.500000 0.202538 0.597252 O\n0.500000 0.702538 0.402748 O\n0.000000 0.790881 0.906483 O\n0.000000 0.290881 0.093517 O\n0.500000 0.121919 0.266045 O\n0.500000 0.621919 0.733955 O\n0.000000 0.889252 0.232845 O\n0.000000 0.389252 0.767155 O\n0.500000 0.421538 0.327347 O\n0.500000 0.921538 0.672653 O\n0.000000 0.572358 0.178910 O\n0.000000 0.072358 0.821090 O\n0.500000 0.024367 0.034415 O\n0.500000 0.524367 0.965585 O\n0.000000 0.984772 0.465341 O\n0.000000 0.484772 0.534659 O\n","nsites":28,"nelements":4,"elements":["Na","Sc","Sn","O"],"chemical_system":"Na-O-Sc-Sn","density":4.806856704550693,"density_atomic":0.08084193945155109,"volume":346.35487705958013,"volume_molar":7.449277937733167,"formula_full":"Na4 Sc4 Sn4 O16","formula_reduced":"NaScSnO4","formula_anonymous":"ABCD4","energy":-202.85045135,"energy_per_atom":-7.244658976785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.85845135,"band_gap":2.6174,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022267,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.501000Z","spacegroup":26},{"id":"mp-1223880","created_at":"2022-09-04T14:41:35.962058Z","structure_string":"Ho1 Co3 Ni2\n1.0\n2.415728 -4.184164 0.000000\n2.415728 4.184164 0.000000\n0.000000 0.000000 4.018336\nHo Co Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n","nsites":6,"nelements":3,"elements":["Ho","Co","Ni"],"chemical_system":"Co-Ho-Ni","density":9.385106750220215,"density_atomic":0.07386152579699821,"volume":81.23309037089841,"volume_molar":8.153285076389182,"formula_full":"Ho1 Co3 Ni2","formula_reduced":"HoCo3Ni2","formula_anonymous":"AB2C3","energy":-38.66868255,"energy_per_atom":-6.444780425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.66868255,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9014068,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.216000Z","spacegroup":191},{"id":"mp-1390274","created_at":"2022-09-04T14:41:35.964057Z","structure_string":"Li2 Cu2 C2 O6\n1.0\n5.037016 0.000000 0.000000\n-2.443043 4.481916 0.000000\n-0.029513 -2.683836 5.866077\nLi Cu C O\n2 2 2 6\ndirect\n0.244151 0.635061 0.668649 Li\n0.755849 0.364939 0.331351 Li\n0.601274 0.261221 0.771975 Cu\n0.398726 0.738779 0.228025 Cu\n0.934859 0.932131 0.740200 C\n0.065141 0.067869 0.259800 C\n0.676276 0.690276 0.739074 O\n0.194649 0.901861 0.785908 O\n0.930288 0.206125 0.691947 O\n0.069712 0.793875 0.308053 O\n0.805351 0.098139 0.214092 O\n0.323724 0.309724 0.260926 O\n","nsites":12,"nelements":4,"elements":["Li","Cu","C","O"],"chemical_system":"C-Cu-Li-O","density":3.272586673923807,"density_atomic":0.09061423817827245,"volume":132.4295192593405,"volume_molar":6.645910047990663,"formula_full":"Li2 Cu2 C2 O6","formula_reduced":"LiCuCO3","formula_anonymous":"ABCD3","energy":-73.72769982,"energy_per_atom":-6.143974985,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.60569982,"band_gap":1.0766,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.981000Z","spacegroup":2}]}