{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=12159","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=12157","results":[{"id":"mp-1187649","created_at":"2022-09-04T14:45:18.254089Z","structure_string":"Tm6 Sn2\n1.0\n3.377691 -5.850333 0.000000\n3.377691 5.850333 0.000000\n0.000000 0.000000 5.488029\nTm Sn\n6 2\ndirect\n0.169608 0.339216 0.250000 Tm\n0.660784 0.830392 0.250000 Tm\n0.169608 0.830392 0.250000 Tm\n0.830392 0.660784 0.750000 Tm\n0.339216 0.169608 0.750000 Tm\n0.830392 0.169608 0.750000 Tm\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n","nsites":8,"nelements":2,"elements":["Tm","Sn"],"chemical_system":"Sn-Tm","density":9.577855477439437,"density_atomic":0.03688443118023691,"volume":216.89367963701955,"volume_molar":16.327053359105967,"formula_full":"Tm6 Sn2","formula_reduced":"Tm3Sn","formula_anonymous":"AB3","energy":-37.83769932,"energy_per_atom":-4.729712415,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.83769932,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4198356,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.218000Z","spacegroup":194},{"id":"mp-1223290","created_at":"2022-09-04T14:45:18.264522Z","structure_string":"Li2 Ca1 V12 O32\n1.0\n3.630630 7.089854 0.000000\n-3.630630 7.089854 0.000000\n0.000000 3.709835 11.700999\nLi Ca V O\n2 1 12 32\ndirect\n0.371456 0.865742 0.696122 Li\n0.865742 0.371456 0.696122 Li\n0.127127 0.127127 0.319969 Ca\n0.303022 0.303022 0.463331 V\n0.798581 0.798581 0.462717 V\n0.196591 0.699333 0.543751 V\n0.699333 0.196591 0.543751 V\n0.974224 0.974224 0.919751 V\n0.473332 0.473332 0.918227 V\n0.525445 0.027730 0.076281 V\n0.027730 0.525445 0.076281 V\n0.416649 0.416649 0.188175 V\n0.906030 0.906030 0.193492 V\n0.085772 0.586577 0.807612 V\n0.586577 0.085772 0.807612 V\n0.511589 0.511589 0.043503 O\n0.007158 0.007158 0.046893 O\n0.988320 0.490892 0.949925 O\n0.490892 0.988320 0.949925 O\n0.368737 0.368737 0.825737 O\n0.868974 0.868974 0.825824 O\n0.129924 0.628411 0.171406 O\n0.628411 0.129924 0.171406 O\n0.814985 0.814985 0.072717 O\n0.319407 0.319407 0.065673 O\n0.682330 0.182330 0.926666 O\n0.182330 0.682330 0.926666 O\n0.288857 0.288857 0.325028 O\n0.785296 0.785296 0.325162 O\n0.216248 0.717431 0.678544 O\n0.717431 0.216248 0.678544 O\n0.408298 0.408298 0.541644 O\n0.903438 0.903438 0.545057 O\n0.092890 0.593198 0.462608 O\n0.593198 0.092890 0.462608 O\n0.190310 0.190310 0.553530 O\n0.688346 0.688346 0.557296 O\n0.295367 0.822066 0.450799 O\n0.822066 0.295367 0.450799 O\n0.077875 0.077875 0.811886 O\n0.576259 0.576259 0.809182 O\n0.406460 0.937914 0.180324 O\n0.937914 0.406460 0.180324 O\n0.487256 0.487256 0.269812 O\n0.980213 0.980213 0.273655 O\n0.015573 0.514534 0.724331 O\n0.514534 0.015573 0.724331 O\n","nsites":47,"nelements":4,"elements":["Li","Ca","V","O"],"chemical_system":"Ca-Li-O-V","density":3.2451998188882785,"density_atomic":0.07802353738170989,"volume":602.3823268876507,"volume_molar":7.7183641784122665,"formula_full":"Li2 Ca1 V12 O32","formula_reduced":"Li2CaV12O32","formula_anonymous":"AB2C12D32","energy":-385.31336574,"energy_per_atom":-8.19815671787234,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-342.92936574,"band_gap":1.7944,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001588,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.967000Z","spacegroup":8},{"id":"mp-1210225","created_at":"2022-09-04T14:45:18.269450Z","structure_string":"Na10 Ag2 Ge4 Se14\n1.0\n5.381073 4.981602 0.000000\n-5.381073 4.981602 0.000000\n0.000000 3.319904 15.107653\nNa Ag Ge Se\n10 2 4 14\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.478105 0.758844 0.914914 Na\n0.521895 0.241156 0.085086 Na\n0.241156 0.521895 0.585086 Na\n0.758844 0.478105 0.414914 Na\n0.514211 0.034717 0.644347 Na\n0.485789 0.965284 0.355653 Na\n0.965283 0.485789 0.855653 Na\n0.034717 0.514211 0.144347 Na\n0.912898 0.087102 0.750000 Ag\n0.087102 0.912898 0.250000 Ag\n0.415358 0.262251 0.857286 Ge\n0.584642 0.737749 0.142714 Ge\n0.737749 0.584642 0.642714 Ge\n0.262251 0.415358 0.357286 Ge\n0.248657 0.020587 0.806673 Se\n0.751343 0.979413 0.193327 Se\n0.979413 0.751343 0.693327 Se\n0.020587 0.248657 0.306673 Se\n0.453101 0.546899 0.750000 Se\n0.546899 0.453101 0.250000 Se\n0.696472 0.158798 0.895512 Se\n0.303528 0.841202 0.104488 Se\n0.841202 0.303528 0.604488 Se\n0.158798 0.696472 0.395512 Se\n0.629211 0.771467 0.526183 Se\n0.370789 0.228533 0.473817 Se\n0.228533 0.370789 0.973817 Se\n0.771467 0.629211 0.026183 Se\n","nsites":30,"nelements":4,"elements":["Na","Ag","Ge","Se"],"chemical_system":"Ag-Ge-Na-Se","density":3.775613549106419,"density_atomic":0.03703875217910965,"volume":809.9624915798431,"volume_molar":16.259027115380434,"formula_full":"Na10 Ag2 Ge4 Se14","formula_reduced":"Na5AgGe2Se7","formula_anonymous":"AB2C5D7","energy":-115.08049555,"energy_per_atom":-3.836016518333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.47249555,"band_gap":1.1633000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0021511,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.136000Z","spacegroup":15},{"id":"mp-777065","created_at":"2022-09-04T14:45:18.274261Z","structure_string":"Na4 Mn4 P4 C4 O28\n1.0\n8.142494 0.000000 0.000000\n-1.429375 8.032264 0.000000\n-2.917559 -3.854381 9.157723\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.776278 0.734010 0.757277 Na\n0.480722 0.029356 0.756933 Na\n0.724908 0.753463 0.236444 Na\n0.223136 0.255658 0.237318 Na\n0.816583 0.066772 0.655873 Mn\n0.307724 0.558009 0.659396 Mn\n0.695108 0.431625 0.343138 Mn\n0.194549 0.932224 0.342880 Mn\n0.048306 0.795077 0.565326 P\n0.545910 0.297318 0.565583 P\n0.455749 0.699827 0.436043 P\n0.957068 0.201258 0.433254 P\n0.966439 0.224490 0.916911 C\n0.468098 0.725573 0.919847 C\n0.527839 0.281574 0.083352 C\n0.034244 0.775248 0.082537 C\n0.947439 0.697368 0.950925 O\n0.438862 0.205670 0.951858 O\n0.325903 0.585429 0.859921 O\n0.822045 0.080964 0.853505 O\n0.009538 0.268156 0.816143 O\n0.509740 0.767364 0.815023 O\n0.165238 0.722931 0.666849 O\n0.965135 0.907990 0.667402 O\n0.652758 0.210833 0.661094 O\n0.476638 0.419938 0.673188 O\n0.600039 0.846838 0.578012 O\n0.670734 0.420357 0.522391 O\n0.171697 0.919442 0.522192 O\n0.101651 0.348681 0.570426 O\n0.901810 0.649354 0.426295 O\n0.335395 0.571613 0.477924 O\n0.837070 0.073557 0.476732 O\n0.395546 0.155696 0.426928 O\n0.346408 0.780136 0.337547 O\n0.539812 0.588764 0.334185 O\n0.840517 0.274265 0.331962 O\n0.034308 0.083039 0.328708 O\n0.488133 0.236666 0.185922 O\n0.993349 0.731354 0.185268 O\n0.674891 0.418482 0.143723 O\n0.178885 0.915126 0.143667 O\n0.047667 0.302830 0.049276 O\n0.554040 0.807776 0.050826 O\n","nsites":44,"nelements":5,"elements":["Na","Mn","P","C","O"],"chemical_system":"C-Mn-Na-O-P","density":2.5829185584273655,"density_atomic":0.07346318480109588,"volume":598.9394568059025,"volume_molar":8.19749480818883,"formula_full":"Na4 Mn4 P4 C4 O28","formula_reduced":"NaMnPCO7","formula_anonymous":"ABCDE7","energy":-334.69360563000004,"energy_per_atom":-7.6066728552272735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.78560563,"band_gap":0.9334,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0022865,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.651000Z","spacegroup":1},{"id":"mp-1045724","created_at":"2022-09-04T14:45:18.278990Z","structure_string":"Mg2 Cr4 O12\n1.0\n5.013602 0.000000 0.000000\n0.000000 5.277433 0.000000\n0.000000 0.000000 7.156750\nMg Cr O\n2 4 12\ndirect\n0.526455 0.326390 0.500000 Mg\n0.026455 0.673610 0.000000 Mg\n0.529794 0.766695 0.739431 Cr\n0.029794 0.233305 0.760569 Cr\n0.029794 0.233305 0.239431 Cr\n0.529794 0.766695 0.260569 Cr\n0.682275 0.059464 0.313593 O\n0.182275 0.940536 0.186407 O\n0.769955 0.534826 0.693360 O\n0.269955 0.465174 0.806640 O\n0.269955 0.465174 0.193360 O\n0.769955 0.534826 0.306640 O\n0.182275 0.940536 0.813593 O\n0.682275 0.059464 0.686407 O\n0.133983 0.228545 0.500000 O\n0.633983 0.771455 0.000000 O\n0.388331 0.729025 0.500000 O\n0.888331 0.270975 0.000000 O\n","nsites":18,"nelements":3,"elements":["Mg","Cr","O"],"chemical_system":"Cr-Mg-O","density":3.9337571445957304,"density_atomic":0.09505699370707865,"volume":189.3600807055566,"volume_molar":6.335294779632344,"formula_full":"Mg2 Cr4 O12","formula_reduced":"MgCr2O6","formula_anonymous":"AB2C6","energy":-134.94677112,"energy_per_atom":-7.49704284,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.70677112,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0003506,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.455000Z","spacegroup":31},{"id":"mp-1094293","created_at":"2022-09-04T14:45:18.289279Z","structure_string":"Sr3 Mg1\n1.0\n-2.764780 2.764780 5.924350\n2.764780 -2.764780 5.924350\n2.764780 2.764780 -5.924350\nSr Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n","nsites":4,"nelements":2,"elements":["Sr","Mg"],"chemical_system":"Mg-Sr","density":2.632441606275551,"density_atomic":0.02208198617651915,"volume":181.14312580511415,"volume_molar":27.271735032619645,"formula_full":"Sr3 Mg1","formula_reduced":"Sr3Mg","formula_anonymous":"AB3","energy":-6.44918061,"energy_per_atom":-1.6122951525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.44918061,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042142,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.361000Z","spacegroup":139},{"id":"mp-1187300","created_at":"2022-09-04T14:45:18.349611Z","structure_string":"Tb3 Pm1\n1.0\n-2.536317 2.536317 5.078805\n2.536317 -2.536317 5.078805\n2.536317 2.536317 -5.078805\nTb Pm\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Pm\n","nsites":4,"nelements":2,"elements":["Tb","Pm"],"chemical_system":"Pm-Tb","density":7.900498445888688,"density_atomic":0.03060774935396423,"volume":130.6858584648574,"volume_molar":19.67521587542022,"formula_full":"Tb3 Pm1","formula_reduced":"Tb3Pm","formula_anonymous":"AB3","energy":-18.57897575,"energy_per_atom":-4.6447439375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.57897575,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000179,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.387000Z","spacegroup":139},{"id":"mp-1075232","created_at":"2022-09-04T14:45:18.287022Z","structure_string":"Mg6 Si8\n1.0\n6.047116 0.000000 0.000000\n-1.157295 6.143444 0.000000\n-2.540700 -2.077888 7.007649\nMg Si\n6 8\ndirect\n0.963189 0.825945 0.421862 Mg\n0.393975 0.600426 0.708217 Mg\n0.323738 0.101381 0.841629 Mg\n0.187182 0.489021 0.006908 Mg\n0.592103 0.365505 0.340906 Mg\n0.046839 0.293179 0.292462 Mg\n0.569334 0.122270 0.597104 Si\n0.914969 0.731517 0.831151 Si\n0.700001 0.528984 0.042395 Si\n0.617848 0.909134 0.092116 Si\n0.814072 0.089646 0.902741 Si\n0.242712 0.940300 0.160328 Si\n0.978542 0.261890 0.615706 Si\n0.402118 0.734264 0.393206 Si\n","nsites":14,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.3633126296635414,"density_atomic":0.05377686632325126,"volume":260.33499080899185,"volume_molar":11.198385424321824,"formula_full":"Mg6 Si8","formula_reduced":"Mg3Si4","formula_anonymous":"A3B4","energy":-50.47661981,"energy_per_atom":-3.605472843571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.04461981,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020185,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.579000Z","spacegroup":1},{"id":"mp-1211973","created_at":"2022-09-04T14:45:18.288124Z","structure_string":"K4 Lu2 Sb2 O14\n1.0\n-3.969444 4.135798 5.675354\n3.969444 -4.135798 5.675354\n3.969444 4.135798 -5.675354\nK Lu Sb O\n4 2 2 14\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.879544 0.586152 0.293392 O\n0.207241 0.913848 0.293392 O\n0.185678 0.791528 0.751091 O\n0.459564 0.708472 0.394151 O\n0.459564 0.065413 0.751091 O\n0.185678 0.434587 0.394151 O\n0.814322 0.565413 0.605849 O\n0.540436 0.934587 0.248909 O\n0.540436 0.291528 0.605849 O\n0.814322 0.208472 0.248909 O\n0.391583 0.250000 0.141583 O\n0.120456 0.413848 0.706608 O\n0.792759 0.086152 0.706608 O\n0.608417 0.750000 0.858417 O\n","nsites":22,"nelements":4,"elements":["K","Lu","Sb","O"],"chemical_system":"K-Lu-O-Sb","density":4.339045716604849,"density_atomic":0.05903108088597315,"volume":372.6850274433582,"volume_molar":10.201644065492573,"formula_full":"K4 Lu2 Sb2 O14","formula_reduced":"K2LuSbO7","formula_anonymous":"ABC2D7","energy":-132.22626846,"energy_per_atom":-6.01028493,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.60826846,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0123289,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.883000Z","spacegroup":74},{"id":"mp-978815","created_at":"2022-09-04T14:45:18.319845Z","structure_string":"Sm2 Tl1 Zn1\n1.0\n0.000000 3.777263 3.777263\n3.777263 0.000000 3.777263\n3.777263 3.777263 0.000000\nSm Tl Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n","nsites":4,"nelements":3,"elements":["Sm","Tl","Zn"],"chemical_system":"Sm-Tl-Zn","density":8.789262598699677,"density_atomic":0.03711062956172155,"volume":107.78582975390626,"volume_molar":16.227535967785492,"formula_full":"Sm2 Tl1 Zn1","formula_reduced":"Sm2TlZn","formula_anonymous":"ABC2","energy":-14.41655662,"energy_per_atom":-3.604139155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.41655662,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015782,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.249000Z","spacegroup":225},{"id":"mp-1177759","created_at":"2022-09-04T14:45:18.408110Z","structure_string":"Li8 V4 O8 F4\n1.0\n0.000884 4.251987 4.235729\n6.103302 -0.009205 -2.107766\n-0.020807 2.146372 -6.374527\nLi V O F\n8 4 8 4\ndirect\n0.754413 0.985307 0.518823 Li\n0.254419 0.985296 0.518811 Li\n0.673463 0.329766 0.679139 Li\n0.173489 0.329768 0.679150 Li\n0.340539 0.684669 0.337939 Li\n0.840512 0.684650 0.337934 Li\n0.577685 0.670655 0.821307 Li\n0.077676 0.670684 0.821282 Li\n0.499164 0.983985 0.995435 V\n0.405001 0.344788 0.148698 V\n0.999178 0.983958 0.995494 V\n0.904971 0.344805 0.148704 V\n0.383031 0.016626 0.234007 O\n0.883024 0.016630 0.234001 O\n0.623830 0.999247 0.761590 O\n0.123826 0.999244 0.761602 O\n0.550197 0.328832 0.927634 O\n0.050125 0.328871 0.927548 O\n0.459912 0.661774 0.090489 O\n0.959921 0.661832 0.090474 O\n0.279145 0.337158 0.405455 F\n0.779130 0.337154 0.405407 F\n0.703680 0.657152 0.579540 F\n0.203665 0.657149 0.579537 F\n","nsites":24,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.479355233024755,"density_atomic":0.10854622565212663,"volume":221.1039569161638,"volume_molar":5.547996463092142,"formula_full":"Li8 V4 O8 F4","formula_reduced":"Li2VO2F","formula_anonymous":"ABC2D2","energy":-162.39327924,"energy_per_atom":-6.766386635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.24927924,"band_gap":0.0883000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.469000Z","spacegroup":1},{"id":"mp-690568","created_at":"2022-09-04T14:45:18.309234Z","structure_string":"V4 Bi8 O22\n1.0\n9.444977 0.000000 0.000000\n0.000000 7.270201 0.000000\n0.000000 1.919954 8.352307\nV Bi O\n4 8 22\ndirect\n0.175719 0.387860 0.427090 V\n0.678213 0.884223 0.950637 V\n0.178213 0.115777 0.049363 V\n0.675719 0.612140 0.572910 V\n0.455075 0.833610 0.308867 Bi\n0.071244 0.772451 0.503082 Bi\n0.051572 0.650576 0.017267 Bi\n0.330151 0.872341 0.780180 Bi\n0.830151 0.127659 0.219820 Bi\n0.551572 0.349424 0.982733 Bi\n0.955075 0.166390 0.691133 Bi\n0.571244 0.227549 0.496918 Bi\n0.097469 0.841215 0.736587 O\n0.597565 0.840332 0.523610 O\n0.232758 0.122157 0.852116 O\n0.801110 0.184542 0.506020 O\n0.638897 0.526101 0.399464 O\n0.774300 0.320094 0.004375 O\n0.588495 0.679980 0.942482 O\n0.554332 0.066348 0.891544 O\n0.326086 0.078362 0.172273 O\n0.581739 0.445698 0.714297 O\n0.852275 0.605686 0.614743 O\n0.081739 0.554302 0.285703 O\n0.352275 0.394314 0.385257 O\n0.054332 0.933652 0.108456 O\n0.826086 0.921638 0.827727 O\n0.088495 0.320020 0.057518 O\n0.138897 0.473899 0.600536 O\n0.301110 0.815458 0.493980 O\n0.732758 0.877843 0.147884 O\n0.274300 0.679906 0.995625 O\n0.597469 0.158785 0.263413 O\n0.097565 0.159668 0.476390 O\n","nsites":34,"nelements":3,"elements":["V","Bi","O"],"chemical_system":"Bi-O-V","density":6.449584767920767,"density_atomic":0.05928231372292676,"volume":573.5268727686464,"volume_molar":10.158410463104115,"formula_full":"V4 Bi8 O22","formula_reduced":"V2Bi4O11","formula_anonymous":"A2B4C11","energy":-241.80943659,"energy_per_atom":-7.112042252647059,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-219.89543659,"band_gap":2.2827999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0043139,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.798000Z","spacegroup":4}]}