{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=10201","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=10199","results":[{"id":"mp-1187188","created_at":"2022-09-04T14:42:20.842405Z","structure_string":"Sr1 La1 Pt2\n1.0\n0.000000 3.660821 3.660821\n3.660821 0.000000 3.660821\n3.660821 3.660821 0.000000\nSr La Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n","nsites":4,"nelements":3,"elements":["Sr","La","Pt"],"chemical_system":"La-Pt-Sr","density":10.436454147703087,"density_atomic":0.040765663326691855,"volume":98.12179352864712,"volume_molar":14.77258130632925,"formula_full":"Sr1 La1 Pt2","formula_reduced":"SrLaPt2","formula_anonymous":"ABC2","energy":-22.51351327,"energy_per_atom":-5.6283783175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.51351327,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015228,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.557000Z","spacegroup":225},{"id":"mp-1097469","created_at":"2022-09-04T14:44:26.210099Z","structure_string":"Sr1 La1 Pt2\n1.0\n-5.583728 6.224308 8.806736\n5.583728 -6.224308 8.806736\n5.583728 6.224308 -8.806736\nSr La Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 La\n0.000000 0.281208 0.281208 Pt\n0.000000 0.718792 0.718792 Pt\n","nsites":4,"nelements":3,"elements":["Sr","La","Pt"],"chemical_system":"La-Pt-Sr","density":0.8364272033458777,"density_atomic":0.0032671546567747682,"volume":1224.3069031659106,"volume_molar":184.32371260762005,"formula_full":"Sr1 La1 Pt2","formula_reduced":"SrLaPt2","formula_anonymous":"ABC2","energy":-16.06350622,"energy_per_atom":-4.015876555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.06350622,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.07e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.524000Z","spacegroup":71},{"id":"mp-1218253","created_at":"2022-09-04T14:47:59.764795Z","structure_string":"Sr2 La2 Ru4 O12\n1.0\n5.643254 0.000000 0.000000\n0.000000 5.648220 0.000000\n0.000000 0.000000 7.969346\nSr La Ru O\n2 2 4 12\ndirect\n0.786725 0.494530 0.500000 Sr\n0.213275 0.994530 0.000000 Sr\n0.290202 0.007110 0.500000 La\n0.709798 0.507110 0.000000 La\n0.249643 0.499984 0.750662 Ru\n0.750357 0.999984 0.250662 Ru\n0.249643 0.499984 0.249338 Ru\n0.750357 0.999984 0.749338 Ru\n0.954052 0.703480 0.793890 O\n0.462661 0.788060 0.209685 O\n0.537339 0.288060 0.290315 O\n0.045948 0.203480 0.706110 O\n0.537339 0.288060 0.709685 O\n0.045948 0.203480 0.293890 O\n0.954052 0.703480 0.206110 O\n0.462661 0.788060 0.790315 O\n0.242222 0.588421 0.500000 O\n0.735887 0.926892 0.500000 O\n0.264113 0.426892 0.000000 O\n0.757778 0.088421 0.000000 O\n","nsites":20,"nelements":4,"elements":["Sr","La","Ru","O"],"chemical_system":"La-O-Ru-Sr","density":6.859535544741108,"density_atomic":0.07873468794850627,"volume":254.01764484137303,"volume_molar":7.648650063792181,"formula_full":"Sr2 La2 Ru4 O12","formula_reduced":"SrLa(RuO3)2","formula_anonymous":"ABC2D6","energy":-157.30944347,"energy_per_atom":-7.8654721735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.06544347,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9986953,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.384000Z","spacegroup":31},{"id":"mp-34141","created_at":"2022-09-04T14:47:45.062460Z","structure_string":"Sr2 La4 S8\n1.0\n-4.410531 4.410531 4.396377\n4.410531 -4.410531 4.396377\n4.410531 4.410531 -4.396377\nSr La S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.125000 0.503510 0.878510 La\n0.496490 0.375000 0.621490 La\n0.625000 0.246490 0.121490 La\n0.753510 0.875000 0.378510 La\n0.866779 0.617755 0.098249 S\n0.018530 0.269505 0.401751 S\n0.231470 0.133221 0.750975 S\n0.383221 0.981470 0.250975 S\n0.519505 0.768530 0.901751 S\n0.382245 0.480495 0.249025 S\n0.730495 0.132245 0.749025 S\n0.867755 0.616779 0.598249 S\n","nsites":14,"nelements":3,"elements":["Sr","La","S"],"chemical_system":"La-S-Sr","density":4.7928912399565435,"density_atomic":0.04092525172338526,"volume":342.0870834131047,"volume_molar":14.714975489225555,"formula_full":"Sr2 La4 S8","formula_reduced":"Sr(LaS2)2","formula_anonymous":"AB2C4","energy":-90.77814828,"energy_per_atom":-6.484153448571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.75414828,"band_gap":2.2358,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0022402,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.308000Z","spacegroup":122},{"id":"mp-1218142","created_at":"2022-09-04T14:46:42.527369Z","structure_string":"Sr1 La1 Sc1 O4\n1.0\n-2.035569 2.035569 6.302534\n2.035569 -2.035569 6.302534\n2.035569 2.035569 -6.302534\nSr La Sc O\n1 1 1 4\ndirect\n0.643356 0.643356 0.000000 Sr\n0.358544 0.358544 0.000000 La\n0.003113 0.003113 0.000000 Sc\n0.830837 0.830837 0.000000 O\n0.177037 0.177037 0.000000 O\n0.493556 0.993556 0.500000 O\n0.993556 0.493556 0.500000 O\n","nsites":7,"nelements":4,"elements":["Sr","La","Sc","O"],"chemical_system":"La-O-Sc-Sr","density":5.3329506985098485,"density_atomic":0.0670117862959463,"volume":104.45923600791174,"volume_molar":8.9866888988815,"formula_full":"Sr1 La1 Sc1 O4","formula_reduced":"SrLaScO4","formula_anonymous":"ABCD4","energy":-58.3256671,"energy_per_atom":-8.332238157142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.5776671,"band_gap":3.0547,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.455000Z","spacegroup":107},{"id":"mp-1218207","created_at":"2022-09-04T14:40:43.425675Z","structure_string":"Sr2 La2 Sc2 O8\n1.0\n2.874661 -6.239673 0.000000\n2.874661 6.239673 0.000000\n0.000000 0.000000 5.890514\nSr La Sc O\n2 2 2 8\ndirect\n0.604966 0.395034 0.513223 Sr\n0.395034 0.604966 0.013223 Sr\n0.891491 0.108509 0.481881 La\n0.108509 0.891491 0.981881 La\n0.254471 0.745529 0.495898 Sc\n0.745529 0.254471 0.995898 Sc\n0.016338 0.475177 0.743419 O\n0.983662 0.524823 0.243419 O\n0.475177 0.016338 0.243419 O\n0.524823 0.983662 0.743419 O\n0.582944 0.417056 0.938462 O\n0.929518 0.070482 0.083698 O\n0.417056 0.582944 0.438462 O\n0.070482 0.929518 0.583698 O\n","nsites":14,"nelements":4,"elements":["Sr","La","Sc","O"],"chemical_system":"La-O-Sc-Sr","density":5.272453449437438,"density_atomic":0.06625160137102926,"volume":211.31564687162373,"volume_molar":9.089804073224084,"formula_full":"Sr2 La2 Sc2 O8","formula_reduced":"SrLaScO4","formula_anonymous":"ABCD4","energy":-116.89110631,"energy_per_atom":-8.349364736428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.39510631,"band_gap":3.6344,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010241,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.662000Z","spacegroup":36},{"id":"mp-33569","created_at":"2022-09-04T14:47:28.387670Z","structure_string":"Sr2 La4 Se8\n1.0\n-4.588903 4.588903 4.583496\n4.588903 -4.588903 4.583496\n4.588903 4.588903 -4.583496\nSr La Se\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.125000 0.501256 0.876256 La\n0.625000 0.248744 0.123744 La\n0.498744 0.375000 0.623744 La\n0.751256 0.875000 0.376256 La\n0.381776 0.479628 0.249105 Se\n0.019478 0.270372 0.402149 Se\n0.230522 0.132671 0.750895 Se\n0.382671 0.980522 0.250895 Se\n0.520372 0.769478 0.902149 Se\n0.867329 0.618224 0.097851 Se\n0.729628 0.131776 0.749105 Se\n0.868224 0.617329 0.597851 Se\n","nsites":14,"nelements":3,"elements":["Sr","La","Se"],"chemical_system":"La-Se-Sr","density":5.860360790455135,"density_atomic":0.036262140166570554,"volume":386.0775987211687,"volume_molar":16.607240312726244,"formula_full":"Sr2 La4 Se8","formula_reduced":"Sr(LaSe2)2","formula_anonymous":"AB2C4","energy":-83.55126324,"energy_per_atom":-5.967947374285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.77526324,"band_gap":1.6753,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0020765,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.486000Z","spacegroup":122},{"id":"mp-694929","created_at":"2022-09-04T14:45:54.261900Z","structure_string":"Sr2 La2 Ta4 N6 O6\n1.0\n5.723737 0.000000 0.000000\n0.110312 5.732152 0.000000\n0.006551 0.003218 8.232382\nSr La Ta N O\n2 2 4 6 6\ndirect\n0.003142 0.016505 0.752710 Sr\n0.506079 0.486216 0.257622 Sr\n0.500573 0.530283 0.758763 La\n0.006015 0.980492 0.253975 La\n0.996730 0.490487 0.012059 Ta\n0.007905 0.510354 0.512279 Ta\n0.496166 0.994533 0.509466 Ta\n0.509553 0.011341 0.009855 Ta\n0.926762 0.506689 0.744153 N\n0.776458 0.219674 0.019500 N\n0.545454 0.973288 0.745058 N\n0.428834 0.018803 0.244625 N\n0.231752 0.768866 0.515607 N\n0.045275 0.494662 0.244941 N\n0.787652 0.210935 0.464795 O\n0.719755 0.723873 0.029583 O\n0.729578 0.726066 0.461914 O\n0.277016 0.281760 0.956414 O\n0.284016 0.281187 0.536056 O\n0.221286 0.773987 0.970626 O\n","nsites":20,"nelements":5,"elements":["Sr","La","Ta","N","O"],"chemical_system":"La-N-O-Sr-Ta","density":8.341945632877922,"density_atomic":0.0740469394977895,"volume":270.09894177458955,"volume_molar":8.132869232468112,"formula_full":"Sr2 La2 Ta4 N6 O6","formula_reduced":"SrLaTa2(NO)3","formula_anonymous":"ABC2D3E3","energy":-189.69205538,"energy_per_atom":-9.484602769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.40405538,"band_gap":1.0135000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001037,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.013000Z","spacegroup":1},{"id":"mp-1173186","created_at":"2022-09-04T14:45:41.732757Z","structure_string":"Sr6 La6 Ta6 Co6 O36\n1.0\n2.841570 -4.921744 0.000000\n2.841570 4.921744 0.000000\n0.000000 0.000000 27.914013\nSr La Ta Co O\n6 6 6 6 36\ndirect\n0.666667 0.333333 0.030860 Sr\n0.333333 0.666667 0.211910 Sr\n0.000000 0.000000 0.375260 Sr\n0.000000 0.000000 0.124208 Sr\n0.666667 0.333333 0.542148 Sr\n0.333333 0.666667 0.707240 Sr\n0.666667 0.333333 0.292616 La\n0.333333 0.666667 0.458578 La\n0.000000 0.000000 0.888909 La\n0.000000 0.000000 0.624364 La\n0.666667 0.333333 0.791695 La\n0.333333 0.666667 0.957915 La\n0.666667 0.333333 0.169414 Ta\n0.333333 0.666667 0.081413 Ta\n0.333333 0.666667 0.333431 Ta\n0.666667 0.333333 0.666349 Ta\n0.000000 0.000000 0.500296 Ta\n0.333333 0.666667 0.831872 Ta\n0.000000 0.000000 0.999553 Co\n0.000000 0.000000 0.250020 Co\n0.666667 0.333333 0.417093 Co\n0.333333 0.666667 0.583274 Co\n0.000000 0.000000 0.750187 Co\n0.666667 0.333333 0.917744 Co\n0.171039 0.828961 0.042001 O\n0.002315 0.501158 0.125816 O\n0.171039 0.342077 0.042001 O\n0.498842 0.997685 0.125816 O\n0.657923 0.828961 0.042001 O\n0.498842 0.501158 0.125816 O\n0.828250 0.171750 0.208893 O\n0.660322 0.830161 0.292067 O\n0.828250 0.656500 0.208893 O\n0.169839 0.339678 0.292067 O\n0.343500 0.171750 0.208893 O\n0.169839 0.830161 0.292067 O\n0.497727 0.502273 0.374345 O\n0.327697 0.163849 0.459010 O\n0.497727 0.995454 0.374345 O\n0.836151 0.672303 0.459010 O\n0.004546 0.502273 0.374345 O\n0.164150 0.835850 0.541214 O\n0.836151 0.163849 0.459010 O\n0.994787 0.497393 0.625370 O\n0.164150 0.328300 0.541214 O\n0.502607 0.005213 0.625370 O\n0.671700 0.835850 0.541214 O\n0.502607 0.497393 0.625370 O\n0.661623 0.830812 0.792157 O\n0.830662 0.169338 0.707733 O\n0.830662 0.661324 0.707733 O\n0.169188 0.338377 0.792157 O\n0.338676 0.169338 0.707733 O\n0.169188 0.830812 0.792157 O\n0.497783 0.502217 0.873877 O\n0.325856 0.162928 0.955400 O\n0.497783 0.995566 0.873877 O\n0.837072 0.674144 0.955400 O\n0.004434 0.502217 0.873877 O\n0.837072 0.162928 0.955400 O\n","nsites":60,"nelements":5,"elements":["Sr","La","Ta","Co","O"],"chemical_system":"Co-La-O-Sr-Ta","density":7.176592425354516,"density_atomic":0.0768460587943224,"volume":780.7817465380928,"volume_molar":7.836629300818395,"formula_full":"Sr6 La6 Ta6 Co6 O36","formula_reduced":"SrLaTaCoO6","formula_anonymous":"ABCDE6","energy":-514.9413086,"energy_per_atom":-8.582355143333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-480.3813086,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0642316,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.323000Z","spacegroup":156},{"id":"mp-684742","created_at":"2022-09-04T14:42:25.926721Z","structure_string":"Sr4 La4 Ta4 Mn4 O24\n1.0\n-5.709581 5.865939 0.012336\n-5.709620 -5.865977 0.012348\n-5.677022 -0.000027 8.139720\nSr La Ta Mn O\n4 4 4 4 24\ndirect\n0.391371 0.352887 0.248595 Sr\n0.891366 0.852882 0.248597 Sr\n0.102880 0.641366 0.748591 Sr\n0.602880 0.141370 0.748599 Sr\n0.410040 0.855821 0.245377 La\n0.910041 0.355819 0.245377 La\n0.105820 0.160033 0.745382 La\n0.605815 0.660035 0.745384 La\n0.748377 0.252902 0.999549 Ta\n0.248384 0.752913 0.999543 Ta\n0.002913 0.998383 0.499544 Ta\n0.502910 0.498382 0.499546 Ta\n0.997972 0.504568 0.498750 Mn\n0.254566 0.247984 0.998745 Mn\n0.497964 0.004568 0.498754 Mn\n0.754579 0.747974 0.998745 Mn\n0.347617 0.816025 0.761475 O\n0.847619 0.316025 0.761479 O\n0.566033 0.597619 0.261478 O\n0.066024 0.097616 0.261480 O\n0.761774 0.991003 0.047377 O\n0.261774 0.490998 0.047381 O\n0.241002 0.511775 0.547375 O\n0.740996 0.011770 0.547386 O\n0.559672 0.756296 0.462722 O\n0.059674 0.256293 0.462722 O\n0.006294 0.309672 0.962723 O\n0.506297 0.809670 0.962719 O\n0.487318 0.175195 0.048301 O\n0.987323 0.675192 0.048298 O\n0.925191 0.737320 0.548306 O\n0.425188 0.237321 0.548306 O\n0.260975 0.968713 0.449555 O\n0.760973 0.468712 0.449556 O\n0.718711 0.510972 0.949560 O\n0.218715 0.010978 0.949554 O\n0.945039 0.916436 0.738292 O\n0.445041 0.416438 0.738288 O\n0.166433 0.695039 0.238291 O\n0.666438 0.195035 0.238293 O\n","nsites":40,"nelements":5,"elements":["Sr","La","Ta","Mn","O"],"chemical_system":"La-Mn-O-Sr-Ta","density":6.812894632570795,"density_atomic":0.07347356330254716,"volume":544.4135033343795,"volume_molar":8.196336871810907,"formula_full":"Sr4 La4 Ta4 Mn4 O24","formula_reduced":"SrLaTaMnO6","formula_anonymous":"ABCDE6","energy":-362.0601275300001,"energy_per_atom":-9.051503188250003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-338.90012753,"band_gap":2.3618,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.431000Z","spacegroup":7},{"id":"mp-1173168","created_at":"2022-09-04T14:41:56.491064Z","structure_string":"Sr5 La5 Ta5 Ni5 O30\n1.0\n2.833018 14.820955 0.000000\n-2.833018 14.820955 0.000000\n0.000000 2.162206 7.716071\nSr La Ta Ni O\n5 5 5 5 30\ndirect\n0.501987 0.501987 0.256712 Sr\n0.899142 0.899142 0.840949 Sr\n0.303704 0.303704 0.449076 Sr\n0.895379 0.895379 0.361521 Sr\n0.503188 0.503188 0.740956 Sr\n0.697728 0.697728 0.045128 La\n0.299400 0.299400 0.945329 La\n0.105569 0.105569 0.656702 La\n0.691156 0.691156 0.576343 La\n0.099822 0.099822 0.147986 La\n0.999989 0.999989 0.002952 Ta\n0.999747 0.999747 0.499855 Ta\n0.397613 0.397613 0.105264 Ta\n0.799480 0.799480 0.700425 Ta\n0.202274 0.202274 0.302891 Ta\n0.400954 0.400954 0.599532 Ni\n0.798828 0.798828 0.198416 Ni\n0.200482 0.200482 0.801550 Ni\n0.600195 0.600195 0.400359 Ni\n0.599754 0.599754 0.900375 Ni\n0.706593 0.199352 0.580206 O\n0.984030 0.984030 0.262393 O\n0.015706 0.015706 0.734977 O\n0.199352 0.706593 0.580206 O\n0.199928 0.701561 0.009214 O\n0.104988 0.597159 0.182821 O\n0.384903 0.384903 0.871412 O\n0.413590 0.413590 0.326803 O\n0.701561 0.199928 0.009214 O\n0.597159 0.104988 0.182821 O\n0.599548 0.095357 0.620696 O\n0.504223 0.996303 0.803544 O\n0.781231 0.781231 0.478398 O\n0.813906 0.813906 0.930567 O\n0.095357 0.599548 0.620696 O\n0.996303 0.504223 0.803544 O\n0.909229 0.396556 0.397654 O\n0.005054 0.492784 0.192306 O\n0.180957 0.180957 0.079219 O\n0.218047 0.218047 0.523059 O\n0.492784 0.005054 0.192306 O\n0.396556 0.909229 0.397654 O\n0.395238 0.905675 0.799894 O\n0.285550 0.810832 0.994839 O\n0.586738 0.586738 0.662168 O\n0.618555 0.618555 0.132570 O\n0.905675 0.395238 0.799894 O\n0.810832 0.285550 0.994839 O\n0.814903 0.285111 0.401883 O\n0.285111 0.814903 0.401883 O\n","nsites":50,"nelements":5,"elements":["Sr","La","Ta","Ni","O"],"chemical_system":"La-Ni-O-Sr-Ta","density":7.203270808180072,"density_atomic":0.0771646287278884,"volume":647.9652766336616,"volume_molar":7.804276206960498,"formula_full":"Sr5 La5 Ta5 Ni5 O30","formula_reduced":"SrLaTaNiO6","formula_anonymous":"ABCDE6","energy":-425.97549105,"energy_per_atom":-8.519509821,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-392.66049105,"band_gap":2.2954,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9994688,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.947000Z","spacegroup":8},{"id":"mp-1218145","created_at":"2022-09-04T14:41:06.493685Z","structure_string":"Sr2 La2 Ta2 Ni2 O12\n1.0\n-4.003461 0.000001 -4.003464\n-0.000005 -4.003471 -4.003458\n-4.003463 -8.006958 4.003467\nSr La Ta Ni O\n2 2 2 2 12\ndirect\n0.375001 0.249997 0.125003 Sr\n0.874999 0.250002 0.624997 Sr\n0.124999 0.750002 0.374997 La\n0.625001 0.749999 0.875002 La\n0.750000 0.499999 0.250001 Ta\n0.250000 0.500001 0.749999 Ta\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.120515 0.252990 0.373505 O\n0.620515 0.252988 0.873507 O\n0.626495 0.252990 0.373504 O\n0.126497 0.252988 0.873507 O\n0.626495 0.747010 0.373505 O\n0.126496 0.747008 0.873508 O\n0.873504 0.747011 0.126494 O\n0.373505 0.747011 0.626495 O\n0.873504 0.252991 0.126494 O\n0.373505 0.252990 0.626494 O\n0.379485 0.747011 0.126494 O\n0.879484 0.747011 0.626494 O\n","nsites":20,"nelements":5,"elements":["Sr","La","Ta","Ni","O"],"chemical_system":"La-Ni-O-Sr-Ta","density":7.273999370766949,"density_atomic":0.0779223044307477,"volume":256.66592057444484,"volume_molar":7.728391509971433,"formula_full":"Sr2 La2 Ta2 Ni2 O12","formula_reduced":"SrLaTaNiO6","formula_anonymous":"ABCDE6","energy":-169.60692158,"energy_per_atom":-8.480346079,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.28092158,"band_gap":2.6746,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.862000Z","spacegroup":216}]}