{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=10237","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=10235","results":[{"id":"mp-998527","created_at":"2022-09-04T14:40:32.425789Z","structure_string":"Ni2 Bi2 O6\n1.0\n-3.180566 4.484187 -0.000340\n-1.570170 -4.483890 2.766631\n1.776940 4.630649 3.051039\nNi Bi O\n2 2 6\ndirect\n0.492768 0.507188 0.521609 Ni\n0.995615 0.004412 0.013205 Ni\n0.697061 0.302979 0.908904 Bi\n0.208831 0.791071 0.373402 Bi\n0.772320 0.612854 0.732070 O\n0.108468 0.227703 0.732074 O\n0.387130 0.891563 0.732131 O\n0.851551 0.717386 0.219194 O\n0.282637 0.353404 0.219214 O\n0.646617 0.148437 0.219194 O\n","nsites":10,"nelements":3,"elements":["Ni","Bi","O"],"chemical_system":"Bi-Ni-O","density":8.204130791892654,"density_atomic":0.07825595944414082,"volume":127.7857951142751,"volume_molar":7.69544045306685,"formula_full":"Ni2 Bi2 O6","formula_reduced":"NiBiO3","formula_anonymous":"ABC3","energy":-62.57382958,"energy_per_atom":-6.257382958,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.36982958,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.48e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.654000Z","spacegroup":146},{"id":"mp-1211289","created_at":"2022-09-04T14:44:56.661884Z","structure_string":"Li2 B6 H6\n1.0\n0.000000 3.997731 3.997731\n3.997731 0.000000 3.997731\n3.997731 3.997731 0.000000\nLi B H\n2 6 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.847108 0.152892 0.152892 B\n0.152892 0.847108 0.847108 B\n0.152892 0.847108 0.152892 B\n0.847108 0.152892 0.847108 B\n0.152892 0.152892 0.847108 B\n0.847108 0.847108 0.152892 B\n0.698397 0.301603 0.301603 H\n0.301603 0.698397 0.698397 H\n0.301603 0.698397 0.301603 H\n0.698397 0.301603 0.698397 H\n0.301603 0.301603 0.698397 H\n0.698397 0.698397 0.301603 H\n","nsites":14,"nelements":3,"elements":["Li","B","H"],"chemical_system":"B-H-Li","density":1.1019247063733346,"density_atomic":0.1095613402693014,"volume":127.78229953730073,"volume_molar":5.49659281750077,"formula_full":"Li2 B6 H6","formula_reduced":"Li(BH)3","formula_anonymous":"AB3C3","energy":-67.88987962,"energy_per_atom":-4.849277115714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.81587962,"band_gap":4.7883,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.65e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.073000Z","spacegroup":225},{"id":"mp-19905","created_at":"2022-09-04T14:46:24.033270Z","structure_string":"Co8 Si4\n1.0\n3.712234 0.000000 0.000000\n0.000000 4.885164 0.000000\n0.000000 0.000000 7.045895\nCo Si\n8 4\ndirect\n0.750000 0.326401 0.064264 Co\n0.250000 0.673599 0.935736 Co\n0.750000 0.826401 0.435736 Co\n0.250000 0.173599 0.564264 Co\n0.250000 0.037086 0.217655 Co\n0.750000 0.962914 0.782345 Co\n0.250000 0.537086 0.282345 Co\n0.750000 0.462914 0.717655 Co\n0.250000 0.702854 0.606400 Si\n0.750000 0.297146 0.393600 Si\n0.250000 0.202854 0.893600 Si\n0.750000 0.797146 0.106400 Si\n","nsites":12,"nelements":2,"elements":["Co","Si"],"chemical_system":"Co-Si","density":7.586966265476201,"density_atomic":0.09391405374988696,"volume":127.77640322031615,"volume_molar":6.412395716660511,"formula_full":"Co8 Si4","formula_reduced":"Co2Si","formula_anonymous":"AB2","energy":-83.77064639,"energy_per_atom":-6.980887199166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.05464639,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0257016,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.669000Z","spacegroup":62},{"id":"mp-1207847","created_at":"2022-09-04T14:46:17.266371Z","structure_string":"V1 N2 F6\n1.0\n0.000000 3.997635 3.997635\n3.997635 0.000000 3.997635\n3.997635 3.997635 0.000000\nV N F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.772804 0.227196 0.227196 F\n0.227196 0.772804 0.772804 F\n0.227196 0.772804 0.227196 F\n0.772804 0.227196 0.772804 F\n0.227196 0.227196 0.772804 F\n0.772804 0.772804 0.227196 F\n","nsites":9,"nelements":3,"elements":["V","N","F"],"chemical_system":"F-N-V","density":2.507517269013312,"density_atomic":0.07043736441994321,"volume":127.77309421094402,"volume_molar":8.549639540878289,"formula_full":"V1 N2 F6","formula_reduced":"V(NF3)2","formula_anonymous":"AB2C6","energy":-43.90034861,"energy_per_atom":-4.877816512222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.42834861,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0007217,"is_theoretical":true,"updated_at":"2021-11-28T01:37:32.353000Z","spacegroup":225},{"id":"mp-1076224","created_at":"2022-09-04T14:41:11.927015Z","structure_string":"K1 Na1 W2 O6\n1.0\n4.007517 0.000000 0.000000\n0.000000 4.007517 0.000000\n0.000000 0.000000 7.955888\nK Na W O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.248658 W\n0.000000 0.000000 0.751342 W\n0.500000 0.000000 0.247178 O\n0.500000 0.000000 0.752822 O\n0.000000 0.500000 0.247178 O\n0.000000 0.500000 0.752822 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n","nsites":10,"nelements":4,"elements":["K","Na","W","O"],"chemical_system":"K-Na-O-W","density":6.832834845969434,"density_atomic":0.07826373908992124,"volume":127.77309283051868,"volume_molar":7.694675503659302,"formula_full":"K1 Na1 W2 O6","formula_reduced":"KNa(WO3)2","formula_anonymous":"ABC2D6","energy":-79.31444338,"energy_per_atom":-7.931444338,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.31644338,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0005694,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.061000Z","spacegroup":123},{"id":"mp-1018764","created_at":"2022-09-04T14:40:38.650006Z","structure_string":"Li3 Ho1 Sb2\n1.0\n2.271319 -3.934040 0.000000\n2.271319 3.934040 0.000000\n0.000000 0.000000 7.149719\nLi Ho Sb\n3 1 2\ndirect\n0.666667 0.333333 0.351078 Li\n0.333333 0.666667 0.648922 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.753831 Sb\n0.333333 0.666667 0.246169 Sb\n","nsites":6,"nelements":3,"elements":["Li","Ho","Sb"],"chemical_system":"Ho-Li-Sb","density":5.578881290353679,"density_atomic":0.0469586254633071,"volume":127.7720533938611,"volume_molar":12.824354845534456,"formula_full":"Li3 Ho1 Sb2","formula_reduced":"Li3HoSb2","formula_anonymous":"AB2C3","energy":-23.79955827,"energy_per_atom":-3.9665930449999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.41555827,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001165,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.963000Z","spacegroup":164},{"id":"mp-1519895","created_at":"2022-09-04T14:41:54.006417Z","structure_string":"Ca1 Eu1 Ti1 Nb1 O6\n1.0\n0.000000 -3.997618 -3.997618\n3.997618 0.000000 -3.997618\n3.997618 -3.997618 -0.000000\nCa Eu Ti Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n0.747028 0.252972 0.252972 O\n0.252972 0.747028 0.747028 O\n0.747028 0.252972 0.747028 O\n0.252972 0.747028 0.252972 O\n0.747028 0.747028 0.252972 O\n0.252972 0.252972 0.747028 O\n","nsites":10,"nelements":5,"elements":["Ca","Eu","Ti","Nb","O"],"chemical_system":"Ca-Eu-Nb-O-Ti","density":5.572908768488842,"density_atomic":0.07826473670587121,"volume":127.77146414714544,"volume_molar":7.6945774220540315,"formula_full":"Ca1 Eu1 Ti1 Nb1 O6","formula_reduced":"CaEuTiNbO6","formula_anonymous":"ABCDE6","energy":-93.14708989,"energy_per_atom":-9.314708989,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.02508989,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.6515913,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.964000Z","spacegroup":216},{"id":"mp-982637","created_at":"2022-09-04T14:39:18.543777Z","structure_string":"Na3 Mg1\n1.0\n-2.470776 2.470776 5.232470\n2.470776 -2.470776 5.232470\n2.470776 2.470776 -5.232470\nNa Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n","nsites":4,"nelements":2,"elements":["Na","Mg"],"chemical_system":"Mg-Na","density":1.2122093954974469,"density_atomic":0.0313059224211034,"volume":127.77135093465861,"volume_molar":19.236426510596793,"formula_full":"Na3 Mg1","formula_reduced":"Na3Mg","formula_anonymous":"AB3","energy":-5.19285509,"energy_per_atom":-1.2982137725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.19285509,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.14e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.202000Z","spacegroup":139},{"id":"mp-1068157","created_at":"2022-09-04T14:42:52.378002Z","structure_string":"Sr2 Cd1 Pt2\n1.0\n-2.296825 2.993708 4.645450\n2.296825 -2.993708 4.645450\n2.296825 2.993708 -4.645450\nSr Cd Pt\n2 1 2\ndirect\n0.299962 0.799962 0.500000 Sr\n0.700038 0.200038 0.500000 Sr\n0.000000 0.000000 0.000000 Cd\n0.726956 0.500000 0.226956 Pt\n0.273044 0.500000 0.773044 Pt\n","nsites":5,"nelements":3,"elements":["Sr","Cd","Pt"],"chemical_system":"Cd-Pt-Sr","density":8.809225149511187,"density_atomic":0.03913315638483246,"volume":127.76889118859678,"volume_molar":15.38884494973707,"formula_full":"Sr2 Cd1 Pt2","formula_reduced":"Sr2CdPt2","formula_anonymous":"AB2C2","energy":-20.12942901,"energy_per_atom":-4.0258858019999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.12942901,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010563,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.052000Z","spacegroup":71},{"id":"mp-1383152","created_at":"2022-09-04T14:40:58.671742Z","structure_string":"Zn4 Cu2 N4\n1.0\n1.792381 5.637367 0.000000\n-1.792381 5.637367 0.000000\n0.000000 3.720048 6.322359\nZn Cu N\n4 2 4\ndirect\n0.342694 0.342694 0.510513 Zn\n0.657306 0.657306 0.489487 Zn\n0.918179 0.918179 0.777064 Zn\n0.081821 0.081821 0.222936 Zn\n0.627835 0.627835 0.904359 Cu\n0.372165 0.372165 0.095641 Cu\n0.799672 0.799672 0.645143 N\n0.200328 0.200328 0.354857 N\n0.510535 0.510535 0.201940 N\n0.489465 0.489465 0.798060 N\n","nsites":10,"nelements":3,"elements":["Zn","Cu","N"],"chemical_system":"Cu-N-Zn","density":5.780347563519741,"density_atomic":0.07826799549160242,"volume":127.76614422267818,"volume_molar":7.694257048714287,"formula_full":"Zn4 Cu2 N4","formula_reduced":"Zn2CuN2","formula_anonymous":"AB2C2","energy":-45.27897840999999,"energy_per_atom":-4.527897841,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.83497841,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.13e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.898000Z","spacegroup":12},{"id":"mp-754980","created_at":"2022-09-04T14:40:00.435123Z","structure_string":"Zr2 Mn2 O6\n1.0\n-2.565517 4.860585 -0.000073\n-2.565506 1.753164 4.533303\n3.258159 4.827080 -0.023025\nZr Mn O\n2 2 6\ndirect\n0.710196 0.144902 0.434718 Zr\n0.289800 0.855102 0.565288 Zr\n0.718404 0.640797 0.922420 Mn\n0.281652 0.359169 0.077495 Mn\n0.507711 0.446910 0.259856 O\n0.785521 0.767551 0.259850 O\n0.187062 0.045380 0.259853 O\n0.812919 0.954629 0.740174 O\n0.214460 0.232462 0.740178 O\n0.492275 0.553099 0.740169 O\n","nsites":10,"nelements":3,"elements":["Zr","Mn","O"],"chemical_system":"Mn-O-Zr","density":5.047528871660136,"density_atomic":0.07827794347345884,"volume":127.74990701423613,"volume_molar":7.693279221166414,"formula_full":"Zr2 Mn2 O6","formula_reduced":"ZrMnO3","formula_anonymous":"ABC3","energy":-95.6466298,"energy_per_atom":-9.56466298,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.1886298,"band_gap":2.8184,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.762000Z","spacegroup":148},{"id":"mp-1517441","created_at":"2022-09-04T14:41:46.519775Z","structure_string":"K1 La1 Ni1 Sb1 O6\n1.0\n-0.000000 -3.997319 -3.997319\n3.997319 0.000000 -3.997319\n3.997319 -3.997319 0.000000\nK La Ni Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n-0.000000 -0.000000 -0.000000 Ni\n0.500000 0.500000 0.500000 Sb\n0.747843 0.252157 0.252157 O\n0.252157 0.747843 0.747843 O\n0.747843 0.252157 0.747843 O\n0.252157 0.747843 0.252157 O\n0.747843 0.747843 0.252157 O\n0.252157 0.252157 0.747843 O\n","nsites":10,"nelements":5,"elements":["K","La","Ni","Sb","O"],"chemical_system":"K-La-Ni-O-Sb","density":5.907479151918457,"density_atomic":0.07828230065815649,"volume":127.74279646772322,"volume_molar":7.692851014046601,"formula_full":"K1 La1 Ni1 Sb1 O6","formula_reduced":"KLaNiSbO6","formula_anonymous":"ABCDE6","energy":-66.56918525,"energy_per_atom":-6.656918525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.90618525000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000006,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.303000Z","spacegroup":216}]}