{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=49","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=47","results":[{"id":"mp-1246509","created_at":"2022-09-04T14:44:58.144244Z","structure_string":"Ca6 Co6 N10\n1.0\n5.535315 -0.002021 -0.039382\n-0.626736 6.724064 -0.059073\n-1.982977 -2.808475 7.513185\nCa Co N\n6 6 10\ndirect\n0.817265 0.410887 0.611145 Ca\n0.182735 0.589113 0.388855 Ca\n0.658228 0.867007 0.869940 Ca\n0.341772 0.132993 0.130060 Ca\n0.658888 0.667247 0.201354 Ca\n0.341112 0.332753 0.798646 Ca\n0.913581 0.320705 0.974135 Co\n0.086419 0.679295 0.025865 Co\n0.686518 0.947800 0.562183 Co\n0.313482 0.052200 0.437817 Co\n0.103648 0.882701 0.712827 Co\n0.896352 0.117299 0.287173 Co\n0.934085 0.112371 0.776581 N\n0.065915 0.887629 0.223419 N\n0.820118 0.699357 0.516244 N\n0.179882 0.300643 0.483756 N\n0.748499 0.533316 0.904441 N\n0.251501 0.466684 0.095559 N\n0.371459 0.948617 0.623472 N\n0.628541 0.051383 0.376528 N\n0.225329 0.769065 0.881455 N\n0.774671 0.230935 0.118545 N\n","nsites":22,"nelements":3,"elements":["Ca","Co","N"],"chemical_system":"Ca-Co-N","density":4.383260488062017,"density_atomic":0.07910345004531164,"volume":278.1168202827825,"volume_molar":7.6129938157569965,"formula_full":"Ca6 Co6 N10","formula_reduced":"Ca3Co3N5","formula_anonymous":"A3B3C5","energy":-150.49022280000003,"energy_per_atom":-6.840464672727274,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.8802228,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0200414,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.276000Z","spacegroup":2},{"id":"mp-1105567","created_at":"2022-09-04T14:44:58.188145Z","structure_string":"Nd14 Pt6\n1.0\n0.000000 0.000000 -6.522630\n-5.087470 -8.835974 0.000000\n-5.087470 8.835974 0.000000\nNd Pt\n14 6\ndirect\n0.456522 0.333278 0.666722 Nd\n0.956522 0.666722 0.333278 Nd\n0.247869 0.127030 0.872970 Nd\n0.248388 0.745666 0.872773 Nd\n0.248388 0.127227 0.254334 Nd\n0.747869 0.872970 0.127030 Nd\n0.748388 0.254334 0.127227 Nd\n0.748388 0.872773 0.745666 Nd\n0.441786 0.537736 0.462264 Nd\n0.442076 0.924861 0.462297 Nd\n0.442076 0.537703 0.075139 Nd\n0.941786 0.462264 0.537736 Nd\n0.942076 0.075139 0.537703 Nd\n0.942076 0.462297 0.924861 Nd\n0.188470 0.810953 0.189047 Pt\n0.188712 0.378072 0.188847 Pt\n0.188712 0.811153 0.621928 Pt\n0.688470 0.189047 0.810953 Pt\n0.688712 0.621928 0.811153 Pt\n0.688712 0.188847 0.378072 Pt\n","nsites":20,"nelements":2,"elements":["Nd","Pt"],"chemical_system":"Nd-Pt","density":9.032667983890981,"density_atomic":0.03410522867616521,"volume":586.420345979888,"volume_molar":17.657529340093927,"formula_full":"Nd14 Pt6","formula_reduced":"Nd7Pt3","formula_anonymous":"A3B7","energy":-117.9481536,"energy_per_atom":-5.89740768,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.9481536,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021391,"is_theoretical":false,"updated_at":"2021-11-28T01:36:50.476000Z","spacegroup":186},{"id":"mp-1211301","created_at":"2022-09-04T14:44:58.234520Z","structure_string":"K2 Sm2 C4 O12\n1.0\n4.873874 4.356703 0.000000\n-4.873874 4.356703 0.000000\n0.000000 2.573039 6.628988\nK Sm C O\n2 2 4 12\ndirect\n0.620145 0.379855 0.750000 K\n0.379855 0.620145 0.250000 K\n0.097187 0.902813 0.750000 Sm\n0.902813 0.097187 0.250000 Sm\n0.645504 0.889790 0.757979 C\n0.354496 0.110210 0.242021 C\n0.110210 0.354496 0.742021 C\n0.889790 0.645504 0.257979 C\n0.447080 0.895704 0.779492 O\n0.552920 0.104296 0.220508 O\n0.104296 0.552920 0.720508 O\n0.895704 0.447080 0.279492 O\n0.712091 0.750584 0.881841 O\n0.287909 0.249416 0.118159 O\n0.249416 0.287909 0.618159 O\n0.750584 0.712091 0.381841 O\n0.794562 0.030957 0.610387 O\n0.205438 0.969043 0.389613 O\n0.969043 0.205438 0.889613 O\n0.030957 0.794562 0.110387 O\n","nsites":20,"nelements":4,"elements":["K","Sm","C","O"],"chemical_system":"C-K-O-Sm","density":3.650873015419465,"density_atomic":0.07104287278836585,"volume":281.5201471311454,"volume_molar":8.47676976399834,"formula_full":"K2 Sm2 C4 O12","formula_reduced":"KSm(CO3)2","formula_anonymous":"ABC2D6","energy":-159.20663891,"energy_per_atom":-7.9603319455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.96263891,"band_gap":4.3453,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005525,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.910000Z","spacegroup":15},{"id":"mp-1105811","created_at":"2022-09-04T14:44:58.240075Z","structure_string":"Sc4 Mn4 O12\n1.0\n5.105041 -0.000019 -0.345720\n-0.000019 5.422535 0.000028\n-0.039218 0.000041 7.904287\nSc Mn O\n4 4 12\ndirect\n0.024726 0.929395 0.230364 Sc\n0.524721 0.570608 0.730366 Sc\n0.975282 0.070606 0.769633 Sc\n0.475279 0.429397 0.269637 Sc\n0.000001 0.500007 0.500003 Mn\n0.499999 0.000002 0.000000 Mn\n0.500005 0.000002 0.499995 Mn\n0.999999 0.499997 0.999998 Mn\n0.204855 0.181262 0.400199 O\n0.704839 0.318735 0.900199 O\n0.795146 0.818735 0.599804 O\n0.295145 0.681267 0.099801 O\n0.847950 0.577566 0.273113 O\n0.347943 0.922426 0.773102 O\n0.152055 0.422422 0.726898 O\n0.652064 0.077568 0.226895 O\n0.318800 0.687380 0.447070 O\n0.818796 0.812615 0.947075 O\n0.681196 0.312629 0.552924 O\n0.181199 0.187380 0.052926 O\n","nsites":20,"nelements":3,"elements":["Sc","Mn","O"],"chemical_system":"Mn-O-Sc","density":4.49092583781479,"density_atomic":0.09143482689006886,"volume":218.73503434359637,"volume_molar":6.586265829802858,"formula_full":"Sc4 Mn4 O12","formula_reduced":"ScMnO3","formula_anonymous":"ABC3","energy":-180.18051608,"energy_per_atom":-9.009025804,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.26451608,"band_gap":1.7979999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9997915,"is_theoretical":false,"updated_at":"2021-11-28T01:36:42.855000Z","spacegroup":14},{"id":"mp-18062","created_at":"2022-09-04T14:44:58.108294Z","structure_string":"Na10 Yb1 Sn12\n1.0\n-5.645925 5.645925 5.645925\n5.645925 -5.645925 5.645925\n5.645925 5.645925 -5.645925\nNa Yb Sn\n10 1 12\ndirect\n0.500000 0.250000 0.750000 Na\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.750000 0.250000 Na\n0.615219 0.000000 0.000000 Na\n0.384781 0.384781 0.384781 Na\n0.000000 0.615219 0.000000 Na\n0.000000 0.000000 0.615219 Na\n0.750000 0.500000 0.250000 Na\n0.250000 0.500000 0.750000 Na\n0.000000 0.000000 0.000000 Yb\n0.000000 0.187989 0.370413 Sn\n0.812011 0.182424 0.812011 Sn\n0.629587 0.629587 0.817576 Sn\n0.370413 0.187989 0.000000 Sn\n0.187989 0.370413 0.000000 Sn\n0.370413 0.000000 0.187989 Sn\n0.629587 0.817576 0.629587 Sn\n0.817576 0.629587 0.629587 Sn\n0.000000 0.370413 0.187989 Sn\n0.812011 0.812011 0.182424 Sn\n0.182424 0.812011 0.812011 Sn\n0.187989 0.000000 0.370413 Sn\n","nsites":23,"nelements":3,"elements":["Na","Yb","Sn"],"chemical_system":"Na-Sn-Yb","density":4.215325575077925,"density_atomic":0.03194938704387586,"volume":719.8886153407034,"volume_molar":18.84900249175309,"formula_full":"Na10 Yb1 Sn12","formula_reduced":"Na10YbSn12","formula_anonymous":"AB10C12","energy":-69.01834778,"energy_per_atom":-3.0007977295652175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.01834778,"band_gap":0.6806000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017072,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.082000Z","spacegroup":217},{"id":"mp-554531","created_at":"2022-09-04T14:44:58.110030Z","structure_string":"Li22 La24 Fe6 O56\n1.0\n13.304439 0.000000 0.000000\n0.000000 13.304439 0.000000\n0.000000 0.000000 7.531974\nLi La Fe O\n22 24 6 56\ndirect\n0.379049 0.120951 0.500000 Li\n0.097858 0.597858 0.157204 Li\n0.902142 0.402142 0.842796 Li\n0.576710 0.076710 0.349776 Li\n0.076710 0.423290 0.650224 Li\n0.620951 0.879049 0.500000 Li\n0.597858 0.902142 0.842796 Li\n0.923290 0.576710 0.349776 Li\n0.000000 0.000000 0.500000 Li\n0.923290 0.576710 0.650224 Li\n0.402142 0.097858 0.157204 Li\n0.576710 0.076710 0.650224 Li\n0.097858 0.597858 0.842796 Li\n0.500000 0.500000 0.500000 Li\n0.423290 0.923290 0.650224 Li\n0.402142 0.097858 0.842796 Li\n0.597858 0.902142 0.157204 Li\n0.076710 0.423290 0.349776 Li\n0.902142 0.402142 0.157204 Li\n0.120951 0.620951 0.500000 Li\n0.423290 0.923290 0.349776 Li\n0.879049 0.379049 0.500000 Li\n0.199685 0.009160 0.259684 La\n0.509160 0.699685 0.259684 La\n0.778204 0.721796 0.500000 La\n0.009160 0.800315 0.740316 La\n0.199685 0.009160 0.740316 La\n0.990840 0.199685 0.740316 La\n0.300315 0.509160 0.259684 La\n0.490840 0.300315 0.259684 La\n0.800315 0.990840 0.740316 La\n0.740659 0.759341 0.000000 La\n0.759341 0.259341 0.000000 La\n0.259341 0.240659 0.000000 La\n0.699685 0.490840 0.740316 La\n0.278204 0.778204 0.500000 La\n0.990840 0.199685 0.259684 La\n0.721796 0.221796 0.500000 La\n0.699685 0.490840 0.259684 La\n0.509160 0.699685 0.740316 La\n0.240659 0.740659 0.000000 La\n0.490840 0.300315 0.740316 La\n0.221796 0.278204 0.500000 La\n0.300315 0.509160 0.740316 La\n0.800315 0.990840 0.259684 La\n0.009160 0.800315 0.259684 La\n0.414179 0.914179 0.000000 Fe\n0.914179 0.585821 0.000000 Fe\n0.085821 0.414179 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.585821 0.085821 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.108159 0.120618 0.000000 O\n0.622106 0.620751 0.500000 O\n0.683451 0.816549 0.712320 O\n0.516529 0.181084 0.500000 O\n0.000000 0.000000 0.747672 O\n0.016529 0.318916 0.500000 O\n0.683451 0.816549 0.287680 O\n0.689937 0.970583 0.000000 O\n0.029417 0.689937 0.000000 O\n0.620618 0.608159 0.000000 O\n0.500000 0.000000 0.187332 O\n0.158899 0.341101 0.802857 O\n0.000000 0.500000 0.187332 O\n0.608159 0.379382 0.000000 O\n0.620751 0.377894 0.500000 O\n0.841101 0.658899 0.197143 O\n0.470583 0.189937 0.000000 O\n0.391841 0.620618 0.000000 O\n0.483471 0.818916 0.500000 O\n0.318916 0.983471 0.500000 O\n0.122106 0.879249 0.500000 O\n0.181084 0.483471 0.500000 O\n0.658899 0.158899 0.802857 O\n0.341101 0.841101 0.197143 O\n0.316549 0.183451 0.287680 O\n0.183451 0.683451 0.712320 O\n0.316549 0.183451 0.712320 O\n0.816549 0.316549 0.287680 O\n0.970583 0.310063 0.000000 O\n0.816549 0.316549 0.712320 O\n0.877894 0.120751 0.500000 O\n0.983471 0.681084 0.500000 O\n0.658899 0.158899 0.197143 O\n0.500000 0.500000 0.747672 O\n0.379382 0.391841 0.000000 O\n0.000000 0.000000 0.252328 O\n0.189937 0.529417 0.000000 O\n0.681084 0.016529 0.500000 O\n0.891841 0.879382 0.000000 O\n0.120751 0.122106 0.500000 O\n0.341101 0.841101 0.802857 O\n0.000000 0.500000 0.812668 O\n0.310063 0.029417 0.000000 O\n0.377894 0.379249 0.500000 O\n0.500000 0.500000 0.252328 O\n0.158899 0.341101 0.197143 O\n0.879249 0.877894 0.500000 O\n0.841101 0.658899 0.802857 O\n0.529417 0.810063 0.000000 O\n0.818916 0.516529 0.500000 O\n0.120618 0.891841 0.000000 O\n0.379249 0.622106 0.500000 O\n0.879382 0.108159 0.000000 O\n0.183451 0.683451 0.287680 O\n0.810063 0.470583 0.000000 O\n0.500000 0.000000 0.812668 O\n","nsites":108,"nelements":4,"elements":["Li","La","Fe","O"],"chemical_system":"Fe-La-Li-O","density":5.875654757611778,"density_atomic":0.08100686218148233,"volume":1333.220385182234,"volume_molar":7.434111873767435,"formula_full":"Li22 La24 Fe6 O56","formula_reduced":"Li11La12Fe3O28","formula_anonymous":"A3B11C12D28","energy":-803.7199680800001,"energy_per_atom":-7.441851556296297,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-751.71196808,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2115839,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.868000Z","spacegroup":127},{"id":"mp-29025","created_at":"2022-09-04T14:44:58.112560Z","structure_string":"Li5 Br2 N1\n1.0\n-1.958239 3.044730 5.921875\n1.958239 -3.044730 5.921875\n1.958239 3.044730 -5.921875\nLi Br N\n5 2 1\ndirect\n0.903113 0.120194 0.782919 Li\n0.096887 0.879806 0.217081 Li\n0.662725 0.879806 0.782919 Li\n0.000000 0.500000 0.500000 Li\n0.337275 0.120194 0.217081 Li\n0.326342 0.326342 0.000000 Br\n0.673658 0.673658 0.000000 Br\n0.000000 0.000000 0.000000 N\n","nsites":8,"nelements":3,"elements":["Li","Br","N"],"chemical_system":"Br-Li-N","density":2.451672634665652,"density_atomic":0.05664430826823114,"volume":141.23219515925814,"volume_molar":10.63150198866054,"formula_full":"Li5 Br2 N1","formula_reduced":"Li5Br2N","formula_anonymous":"AB2C5","energy":-30.44047784,"energy_per_atom":-3.80505973,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.01147784,"band_gap":2.0781,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:53.710000Z","spacegroup":71},{"id":"mp-1099605","created_at":"2022-09-04T14:44:58.121260Z","structure_string":"Sr4 Ca4 Fe2 Co6 O24\n1.0\n7.821434 0.000000 0.000000\n0.000000 7.590935 0.000000\n0.000000 0.000506 7.680095\nSr Ca Fe Co O\n4 4 2 6 24\ndirect\n0.500000 0.251003 0.253450 Sr\n0.000000 0.250358 0.253719 Sr\n0.000000 0.250468 0.746682 Sr\n0.500000 0.748562 0.746645 Sr\n0.500000 0.755217 0.259540 Ca\n0.000000 0.753467 0.259452 Ca\n0.500000 0.245895 0.740427 Ca\n0.000000 0.753532 0.739216 Ca\n0.249804 0.997813 0.999926 Fe\n0.750196 0.997813 0.999926 Fe\n0.249976 0.500512 0.999961 Co\n0.750024 0.500512 0.999961 Co\n0.250114 0.998768 0.500154 Co\n0.749886 0.998768 0.500154 Co\n0.249866 0.501699 0.499891 Co\n0.750134 0.501699 0.499891 Co\n0.249899 0.993382 0.247332 O\n0.750101 0.993382 0.247332 O\n0.249759 0.503979 0.265272 O\n0.750241 0.503979 0.265272 O\n0.249680 0.998204 0.752722 O\n0.750320 0.998204 0.752722 O\n0.249387 0.500409 0.734816 O\n0.750613 0.500409 0.734816 O\n0.251196 0.262948 0.998360 O\n0.748804 0.262948 0.998360 O\n0.249189 0.736991 0.001210 O\n0.750811 0.736991 0.001210 O\n0.248756 0.237170 0.501461 O\n0.751244 0.237170 0.501461 O\n0.252739 0.761888 0.498707 O\n0.747261 0.761888 0.498707 O\n0.500000 0.997463 0.000605 O\n0.000000 0.994393 0.000303 O\n0.500000 0.501882 0.000462 O\n0.000000 0.503538 0.000130 O\n0.500000 0.000405 0.499234 O\n0.000000 0.988879 0.499719 O\n0.500000 0.496621 0.500877 O\n0.000000 0.520791 0.499915 O\n","nsites":40,"nelements":5,"elements":["Sr","Ca","Fe","Co","O"],"chemical_system":"Ca-Co-Fe-O-Sr","density":4.952917311687273,"density_atomic":0.08772264977528767,"volume":455.98257807379173,"volume_molar":6.864978173170159,"formula_full":"Sr4 Ca4 Fe2 Co6 O24","formula_reduced":"Sr2Ca2Fe(CoO4)3","formula_anonymous":"AB2C2D3E12","energy":-273.87274366,"energy_per_atom":-6.846818591500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.04474366,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":26.7212059,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.215000Z","spacegroup":6},{"id":"mp-768784","created_at":"2022-09-04T14:44:58.124250Z","structure_string":"Li24 Mn5 Cr7 O36\n1.0\n5.004966 0.000000 0.000000\n-0.761873 9.717446 0.000000\n-2.442268 -1.859630 12.952132\nLi Mn Cr O\n24 5 7 36\ndirect\n0.165785 0.999348 0.833169 Li\n0.045530 0.000831 0.612560 Li\n0.999842 0.750299 0.249904 Li\n0.333343 0.750404 0.915909 Li\n0.046493 0.501070 0.112526 Li\n0.381483 0.498925 0.780225 Li\n0.164298 0.500154 0.333286 Li\n0.498258 0.500200 0.999116 Li\n0.286441 0.500011 0.553890 Li\n0.334830 0.249962 0.416662 Li\n0.496226 0.999870 0.500030 Li\n0.284726 0.998584 0.054239 Li\n0.619994 0.000608 0.722715 Li\n0.384221 0.001494 0.279739 Li\n0.715275 0.999466 0.944266 Li\n0.668373 0.749649 0.583133 Li\n0.717437 0.500762 0.446763 Li\n0.835491 0.499847 0.666856 Li\n0.617567 0.499315 0.220683 Li\n0.951827 0.499962 0.886523 Li\n0.668416 0.249800 0.083934 Li\n0.836610 0.000495 0.165939 Li\n0.000496 0.250418 0.750994 Li\n0.949195 0.998973 0.386963 Li\n0.108034 0.748565 0.471809 Mn\n0.222129 0.249703 0.195356 Mn\n0.557971 0.251444 0.861495 Mn\n0.779066 0.751366 0.805883 Mn\n0.774476 0.248713 0.304538 Mn\n0.114454 0.250112 0.974761 Cr\n0.227759 0.749656 0.693208 Cr\n0.442058 0.250511 0.641659 Cr\n0.443471 0.749702 0.141068 Cr\n0.557617 0.750788 0.363359 Cr\n0.893221 0.249727 0.525080 Cr\n0.888402 0.749670 0.025247 Cr\n0.000908 0.862021 0.927518 O\n0.069401 0.636608 0.784180 O\n0.996412 0.360801 0.427866 O\n0.152146 0.362767 0.642067 O\n0.266295 0.365191 0.880853 O\n0.328755 0.861243 0.595792 O\n0.071014 0.136537 0.285454 O\n0.182141 0.137295 0.524293 O\n0.399426 0.136953 0.950554 O\n0.149080 0.862202 0.142291 O\n0.257649 0.863899 0.382346 O\n0.481201 0.863203 0.811071 O\n0.335377 0.138886 0.738268 O\n0.183523 0.637547 0.024360 O\n0.402261 0.636006 0.451552 O\n0.520896 0.638617 0.691371 O\n0.337686 0.637804 0.238768 O\n0.666451 0.638826 0.902827 O\n0.330465 0.361464 0.096291 O\n0.670253 0.362279 0.763995 O\n0.475668 0.361568 0.309906 O\n0.600166 0.364558 0.549214 O\n0.811523 0.361479 0.975297 O\n0.664397 0.862139 0.264186 O\n0.523842 0.138796 0.189740 O\n0.732380 0.135535 0.616449 O\n0.855717 0.138053 0.856819 O\n0.602562 0.864511 0.049527 O\n0.808754 0.861496 0.476118 O\n0.929702 0.863681 0.714863 O\n0.663135 0.137169 0.401467 O\n0.731657 0.634903 0.117211 O\n0.861548 0.637683 0.357079 O\n0.996181 0.636698 0.568842 O\n0.928706 0.363527 0.214689 O\n0.001906 0.137652 0.073388 O\n","nsites":72,"nelements":4,"elements":["Li","Mn","Cr","O"],"chemical_system":"Cr-Li-Mn-O","density":3.640986769164292,"density_atomic":0.11429782524790649,"volume":629.9332453949623,"volume_molar":5.268814823850119,"formula_full":"Li24 Mn5 Cr7 O36","formula_reduced":"Li24Mn5Cr7O36","formula_anonymous":"A5B7C24D36","energy":-497.13363468,"energy_per_atom":-6.904633815,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-450.06863468,"band_gap":1.0341,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.9988787,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.508000Z","spacegroup":1},{"id":"mp-1222413","created_at":"2022-09-04T14:44:58.218715Z","structure_string":"Li4 B12\n1.0\n5.981240 0.000000 0.000000\n0.000000 5.981240 0.000000\n0.000000 0.000000 4.162590\nLi B\n4 12\ndirect\n0.678372 0.178372 0.500000 Li\n0.321628 0.821628 0.500000 Li\n0.178372 0.321628 0.500000 Li\n0.821628 0.678372 0.500000 Li\n0.500000 0.500000 0.705849 B\n0.000000 0.000000 0.705849 B\n0.500000 0.500000 0.294151 B\n0.000000 0.000000 0.294151 B\n0.636581 0.660225 0.000000 B\n0.363419 0.339775 0.000000 B\n0.136581 0.839775 0.000000 B\n0.863419 0.160225 0.000000 B\n0.339775 0.636581 0.000000 B\n0.660225 0.363419 0.000000 B\n0.160225 0.136581 0.000000 B\n0.839775 0.863419 0.000000 B\n","nsites":16,"nelements":2,"elements":["Li","B"],"chemical_system":"B-Li","density":1.7561941701187223,"density_atomic":0.10744195152132054,"volume":148.91762271113436,"volume_molar":5.6050180350689,"formula_full":"Li4 B12","formula_reduced":"LiB3","formula_anonymous":"AB3","energy":-91.58124034,"energy_per_atom":-5.72382752125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.58124034,"band_gap":0.0918999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004981,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.141000Z","spacegroup":127},{"id":"mp-1202853","created_at":"2022-09-04T14:44:58.132705Z","structure_string":"V14 C4 N4 O32\n1.0\n6.197822 0.000000 0.000000\n-0.002625 6.200830 0.000000\n-2.203547 -0.768444 20.452483\nV C N O\n14 4 4 32\ndirect\n0.558143 0.931002 0.327650 V\n0.441857 0.068998 0.672350 V\n0.328997 0.360391 0.323557 V\n0.671003 0.639609 0.676443 V\n0.436270 0.639095 0.175591 V\n0.563730 0.360905 0.824409 V\n0.785040 0.500729 0.323181 V\n0.214960 0.499271 0.676819 V\n0.031184 0.920081 0.249355 V\n0.968816 0.079919 0.750645 V\n0.575968 0.182743 0.175879 V\n0.424032 0.817257 0.824121 V\n0.004246 0.410981 0.170927 V\n0.995754 0.589019 0.829073 V\n0.934599 0.927189 0.012884 C\n0.065401 0.072811 0.987116 C\n0.072350 0.930510 0.487390 C\n0.927650 0.069490 0.512610 C\n0.823980 0.803876 0.035399 N\n0.176020 0.196124 0.964601 N\n0.194926 0.812670 0.465536 N\n0.805074 0.187330 0.534464 N\n0.046530 0.427576 0.292434 O\n0.953470 0.572424 0.707566 O\n0.620530 0.241003 0.305535 O\n0.379470 0.758997 0.694465 O\n0.517276 0.915035 0.206940 O\n0.482724 0.084965 0.793060 O\n0.324707 0.344119 0.193073 O\n0.675293 0.655881 0.806927 O\n0.132460 0.710039 0.195368 O\n0.867540 0.289961 0.804632 O\n0.481225 0.615549 0.305784 O\n0.518775 0.384451 0.694216 O\n0.334657 0.371647 0.401176 O\n0.665343 0.628353 0.598824 O\n0.976518 0.393850 0.092356 O\n0.023482 0.606150 0.907644 O\n0.845391 0.809010 0.303387 O\n0.154609 0.190990 0.696613 O\n0.254001 0.047725 0.303106 O\n0.745999 0.952275 0.696894 O\n0.699867 0.483199 0.193282 O\n0.300133 0.516801 0.806718 O\n0.589938 0.941246 0.406232 O\n0.410062 0.058754 0.593768 O\n0.893641 0.118946 0.195692 O\n0.106359 0.881054 0.804308 O\n0.542090 0.149697 0.098235 O\n0.457910 0.850303 0.901765 O\n0.412218 0.651413 0.097976 O\n0.587782 0.348587 0.902024 O\n0.833365 0.503981 0.400897 O\n0.166635 0.496019 0.599103 O\n","nsites":54,"nelements":4,"elements":["V","C","N","O"],"chemical_system":"C-N-O-V","density":2.8081139356650673,"density_atomic":0.06870032557258121,"volume":786.0224758753077,"volume_molar":8.765811093045938,"formula_full":"V14 C4 N4 O32","formula_reduced":"V7C2(NO8)2","formula_anonymous":"A2B2C7D16","energy":-455.71387435,"energy_per_atom":-8.439145821296297,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-408.48587435,"band_gap":1.1224,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0374438,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.952000Z","spacegroup":2},{"id":"mp-23409","created_at":"2022-09-04T14:44:49.499361Z","structure_string":"Pr24 C12 I34\n1.0\n6.366161 10.189374 0.000000\n-6.366161 10.189374 0.000000\n0.000000 0.300361 19.501521\nPr C I\n24 12 34\ndirect\n0.710891 0.296333 0.020600 Pr\n0.703667 0.289109 0.479400 Pr\n0.289109 0.703667 0.979400 Pr\n0.296333 0.710891 0.520600 Pr\n0.534154 0.548423 0.128031 Pr\n0.451577 0.465846 0.371969 Pr\n0.465846 0.451577 0.871969 Pr\n0.548423 0.534154 0.628031 Pr\n0.899038 0.424052 0.116925 Pr\n0.575948 0.100962 0.383075 Pr\n0.100962 0.575948 0.883075 Pr\n0.424052 0.899038 0.616925 Pr\n0.641438 0.641111 0.949790 Pr\n0.358889 0.358562 0.550210 Pr\n0.358562 0.358889 0.050210 Pr\n0.641111 0.641438 0.449790 Pr\n0.020178 0.076539 0.152232 Pr\n0.923461 0.979822 0.347768 Pr\n0.979822 0.923461 0.847768 Pr\n0.076539 0.020178 0.652232 Pr\n0.808327 0.338168 0.288876 Pr\n0.661832 0.191673 0.211124 Pr\n0.191673 0.661832 0.711124 Pr\n0.338168 0.808327 0.788876 Pr\n0.720967 0.365801 0.149767 C\n0.634199 0.279033 0.350233 C\n0.279033 0.634199 0.850233 C\n0.365801 0.720967 0.649767 C\n0.831324 0.256840 0.152860 C\n0.743160 0.168676 0.347140 C\n0.168676 0.743160 0.847140 C\n0.256840 0.831324 0.652860 C\n0.532826 0.531884 0.988452 C\n0.468116 0.467174 0.511548 C\n0.467174 0.468116 0.011548 C\n0.531884 0.532826 0.488452 C\n0.180323 0.212224 0.101034 I\n0.787776 0.819677 0.398966 I\n0.819677 0.787776 0.898966 I\n0.212224 0.180323 0.601034 I\n0.282730 0.806262 0.137688 I\n0.193738 0.717270 0.362312 I\n0.717270 0.193738 0.862312 I\n0.806262 0.282730 0.637688 I\n0.000000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.895226 0.396875 0.440074 I\n0.603125 0.104774 0.059926 I\n0.104774 0.603125 0.559926 I\n0.396875 0.895226 0.940074 I\n0.398214 0.904897 0.451081 I\n0.095103 0.601786 0.048919 I\n0.601786 0.095103 0.548919 I\n0.904897 0.398214 0.951081 I\n0.966254 0.498203 0.254170 I\n0.501797 0.033746 0.245830 I\n0.033746 0.501797 0.745830 I\n0.498203 0.966254 0.754170 I\n0.093178 0.112386 0.303143 I\n0.887614 0.906822 0.196857 I\n0.906822 0.887614 0.696857 I\n0.112386 0.093178 0.803143 I\n0.689779 0.708593 0.100237 I\n0.291407 0.310221 0.399763 I\n0.310221 0.291407 0.899763 I\n0.708593 0.689779 0.600237 I\n0.576542 0.625563 0.291986 I\n0.374437 0.423458 0.208014 I\n0.423458 0.374437 0.708014 I\n0.625563 0.576542 0.791986 I\n","nsites":70,"nelements":3,"elements":["Pr","C","I"],"chemical_system":"C-I-Pr","density":5.146101382285938,"density_atomic":0.027667787939110625,"volume":2530.0179455636717,"volume_molar":21.765891705014926,"formula_full":"Pr24 C12 I34","formula_reduced":"Pr12C6I17","formula_anonymous":"A6B12C17","energy":-370.4063035,"energy_per_atom":-5.291518621428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-357.5203035,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2967978,"is_theoretical":false,"updated_at":"2021-11-28T01:36:43.389000Z","spacegroup":15}]}