{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=10168","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=10166","results":[{"id":"mp-979434","created_at":"2022-09-04T14:39:48.381156Z","structure_string":"Dy1 Y1 Tl2\n1.0\n0.000000 3.796080 3.796080\n3.796080 0.000000 3.796080\n3.796080 3.796080 0.000000\nDy Y Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n","nsites":4,"nelements":3,"elements":["Dy","Y","Tl"],"chemical_system":"Dy-Tl-Y","density":10.02006247586761,"density_atomic":0.03656149339435284,"volume":109.4047214334474,"volume_molar":16.471265807020234,"formula_full":"Dy1 Y1 Tl2","formula_reduced":"DyYTl2","formula_anonymous":"ABC2","energy":-17.22732463,"energy_per_atom":-4.3068311575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.22732463,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.9e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.552000Z","spacegroup":225},{"id":"mp-1199723","created_at":"2022-09-04T14:42:12.526682Z","structure_string":"Ce4 In21 Pd10\n1.0\n2.215261 11.836095 0.000000\n-2.215261 11.836095 0.000000\n0.000000 10.001703 14.471557\nCe In Pd\n4 21 10\ndirect\n0.229256 0.229256 0.674945 Ce\n0.770744 0.770744 0.325055 Ce\n0.877561 0.877561 0.833479 Ce\n0.122439 0.122439 0.166521 Ce\n0.500000 0.500000 0.000000 In\n0.116174 0.116174 0.947495 In\n0.883826 0.883826 0.052505 In\n0.457625 0.457625 0.867719 In\n0.542375 0.542375 0.132281 In\n0.065089 0.065089 0.701904 In\n0.934911 0.934911 0.298096 In\n0.368616 0.368616 0.700990 In\n0.631384 0.631384 0.299010 In\n0.989585 0.989585 0.591605 In\n0.010415 0.010415 0.408395 In\n0.748936 0.748936 0.792701 In\n0.251064 0.251064 0.207299 In\n0.616117 0.616117 0.795133 In\n0.383883 0.383883 0.204867 In\n0.602426 0.602426 0.503937 In\n0.397574 0.397574 0.496063 In\n0.202362 0.202362 0.493357 In\n0.797638 0.797638 0.506643 In\n0.700994 0.700994 0.001118 In\n0.299006 0.299006 0.998882 In\n0.249225 0.249225 0.885875 Pd\n0.750775 0.750775 0.114125 Pd\n0.024263 0.024263 0.889107 Pd\n0.975737 0.975737 0.110893 Pd\n0.654028 0.654028 0.613084 Pd\n0.345972 0.345972 0.386916 Pd\n0.863595 0.863595 0.606738 Pd\n0.136405 0.136405 0.393262 Pd\n0.494824 0.494824 0.686899 Pd\n0.505176 0.505176 0.313101 Pd\n","nsites":35,"nelements":3,"elements":["Ce","In","Pd"],"chemical_system":"Ce-In-Pd","density":8.830893634683157,"density_atomic":0.04612001555824004,"volume":758.8895965527644,"volume_molar":13.057542776401021,"formula_full":"Ce4 In21 Pd10","formula_reduced":"Ce4In21Pd10","formula_anonymous":"A4B10C21","energy":-150.7388811,"energy_per_atom":-4.306825174285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.7388811,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5145041,"is_theoretical":false,"updated_at":"2021-11-28T01:35:41.156000Z","spacegroup":12},{"id":"mp-1210460","created_at":"2022-09-04T14:41:26.389894Z","structure_string":"Na4 Fe2 Cl8\n1.0\n3.871584 0.000000 0.000000\n0.000000 6.904431 0.000000\n0.000000 0.000000 11.886527\nNa Fe Cl\n4 2 8\ndirect\n0.500000 0.073861 0.318949 Na\n0.500000 0.926139 0.681051 Na\n0.500000 0.426139 0.818949 Na\n0.500000 0.573861 0.181051 Na\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.368370 0.309701 Cl\n0.000000 0.631630 0.690299 Cl\n0.000000 0.131630 0.809701 Cl\n0.000000 0.868370 0.190299 Cl\n0.500000 0.226756 0.049710 Cl\n0.500000 0.773244 0.950290 Cl\n0.500000 0.273244 0.549710 Cl\n0.500000 0.726756 0.450290 Cl\n","nsites":14,"nelements":3,"elements":["Na","Fe","Cl"],"chemical_system":"Cl-Fe-Na","density":2.546536775766533,"density_atomic":0.044061215559397376,"volume":317.73975870291395,"volume_molar":13.667668228267019,"formula_full":"Na4 Fe2 Cl8","formula_reduced":"Na2FeCl4","formula_anonymous":"AB2C4","energy":-60.29546957,"energy_per_atom":-4.306819255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.38346957,"band_gap":0.3649,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9993013,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.964000Z","spacegroup":55},{"id":"mp-1078234","created_at":"2022-09-04T14:40:36.795793Z","structure_string":"Ba2 Ge6\n1.0\n3.428362 -5.938098 0.000000\n3.428362 5.938098 0.000000\n0.000000 0.000000 5.261891\nBa Ge\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.126656 0.873344 0.250000 Ge\n0.126656 0.253312 0.250000 Ge\n0.746688 0.873344 0.250000 Ge\n0.873344 0.126656 0.750000 Ge\n0.873344 0.746688 0.750000 Ge\n0.253312 0.126656 0.750000 Ge\n","nsites":8,"nelements":2,"elements":["Ba","Ge"],"chemical_system":"Ba-Ge","density":5.506854927998177,"density_atomic":0.03734084232409014,"volume":214.2426228783507,"volume_molar":16.1274903970628,"formula_full":"Ba2 Ge6","formula_reduced":"BaGe3","formula_anonymous":"AB3","energy":-34.45350014,"energy_per_atom":-4.3066875175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.45350014,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009208,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.118000Z","spacegroup":194},{"id":"mp-983359","created_at":"2022-09-04T14:46:17.450981Z","structure_string":"Ga1 Si3\n1.0\n0.000000 3.161153 3.161153\n3.161153 0.000000 3.161153\n3.161153 3.161153 0.000000\nGa Si\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Si\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 Si\n","nsites":4,"nelements":2,"elements":["Ga","Si"],"chemical_system":"Ga-Si","density":4.0471141892723,"density_atomic":0.0633130808400173,"volume":63.178097589460265,"volume_molar":9.51168491581866,"formula_full":"Ga1 Si3","formula_reduced":"GaSi3","formula_anonymous":"AB3","energy":-17.22623407,"energy_per_atom":-4.3065585175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.43923407,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007127,"is_theoretical":true,"updated_at":"2021-11-28T01:37:28.643000Z","spacegroup":225},{"id":"mp-1097141","created_at":"2022-09-04T14:47:34.618220Z","structure_string":"Fe1 Sn1 Rh2\n1.0\n-4.764817 5.513684 7.771700\n4.764817 -5.513684 7.771700\n4.764817 5.513684 -7.771700\nFe Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Sn\n0.000000 0.237425 0.237425 Rh\n0.000000 0.762575 0.762575 Rh\n","nsites":4,"nelements":3,"elements":["Fe","Sn","Rh"],"chemical_system":"Fe-Rh-Sn","density":0.7733688403752439,"density_atomic":0.004897741667496218,"volume":816.7029360788738,"volume_molar":122.95750100430651,"formula_full":"Fe1 Sn1 Rh2","formula_reduced":"FeSnRh2","formula_anonymous":"ABC2","energy":-17.22601368,"energy_per_atom":-4.30650342,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.22601368,"band_gap":0.2374,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9995855,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.939000Z","spacegroup":71},{"id":"mp-1104549","created_at":"2022-09-04T14:46:04.229583Z","structure_string":"Na2 Re1 Cl6 O6\n1.0\n8.009681 -0.508954 0.646713\n-4.097443 7.856435 -2.941305\n1.895562 -1.186027 6.463376\nNa Re Cl O\n2 1 6 6\ndirect\n0.245925 0.589460 0.934985 Na\n0.754075 0.410540 0.065015 Na\n0.000000 0.000000 0.500000 Re\n0.213106 0.871553 0.443064 Cl\n0.786894 0.128447 0.556936 Cl\n0.726187 0.725228 0.506074 Cl\n0.273813 0.274772 0.493926 Cl\n0.002312 0.856257 0.097585 Cl\n0.997688 0.143743 0.902415 Cl\n0.553775 0.525492 0.923267 O\n0.446225 0.474508 0.076733 O\n0.988460 0.643632 0.949422 O\n0.011540 0.356368 0.050578 O\n0.485968 0.057506 0.995568 O\n0.514032 0.942494 0.004432 O\n","nsites":15,"nelements":4,"elements":["Na","Re","Cl","O"],"chemical_system":"Cl-Na-O-Re","density":2.48355776817898,"density_atomic":0.04147617448367991,"volume":361.65341154841116,"volume_molar":14.519518337858278,"formula_full":"Na2 Re1 Cl6 O6","formula_reduced":"Na2Re(ClO)6","formula_anonymous":"AB2C6D6","energy":-64.59674362,"energy_per_atom":-4.306449574666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.63074362,"band_gap":0.0061999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9997633,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.283000Z","spacegroup":2},{"id":"mp-867238","created_at":"2022-09-04T14:47:11.291624Z","structure_string":"Sm1 Pb3\n1.0\n4.994428 0.000000 0.000000\n0.000000 4.994428 0.000000\n0.000000 0.000000 4.994428\nSm Pb\n1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n","nsites":4,"nelements":2,"elements":["Sm","Pb"],"chemical_system":"Pb-Sm","density":10.289318833258628,"density_atomic":0.03210722128598154,"volume":124.5825655347651,"volume_molar":18.756343647307002,"formula_full":"Sm1 Pb3","formula_reduced":"SmPb3","formula_anonymous":"AB3","energy":-17.22564039,"energy_per_atom":-4.3064100975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.22564039,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0049159,"is_theoretical":true,"updated_at":"2021-11-28T01:37:53.327000Z","spacegroup":221},{"id":"mp-1110688","created_at":"2022-09-04T14:46:16.329342Z","structure_string":"Rb2 Nd1 Cu1 Cl6\n1.0\n0.000000 5.293452 5.293452\n5.293452 0.000000 5.293452\n5.293452 5.293452 0.000000\nRb Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.757954 0.242046 0.242046 Cl\n0.242046 0.242046 0.757954 Cl\n0.242046 0.757954 0.757954 Cl\n0.242046 0.757954 0.242046 Cl\n0.757954 0.242046 0.757954 Cl\n0.757954 0.757954 0.242046 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Nd","Cu","Cl"],"chemical_system":"Cl-Cu-Nd-Rb","density":3.310655809121908,"density_atomic":0.03370955863999709,"volume":296.6517629849592,"volume_molar":17.864786733975823,"formula_full":"Rb2 Nd1 Cu1 Cl6","formula_reduced":"Rb2NdCuCl6","formula_anonymous":"ABC2D6","energy":-43.0626686,"energy_per_atom":-4.30626686,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.3786686,"band_gap":2.4344,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022898,"is_theoretical":true,"updated_at":"2021-11-28T01:37:28.924000Z","spacegroup":225},{"id":"mp-753677","created_at":"2022-09-04T14:41:59.995521Z","structure_string":"Li6 Bi2 S6\n1.0\n4.175314 -5.463033 0.000000\n4.175314 5.463033 0.000000\n-2.972585 0.000000 6.200138\nLi Bi S\n6 2 6\ndirect\n0.098317 0.474589 0.696242 Li\n0.196242 0.974589 0.598317 Li\n0.974589 0.598317 0.196242 Li\n0.696242 0.098317 0.474589 Li\n0.474589 0.696242 0.098317 Li\n0.598317 0.196242 0.974589 Li\n0.515093 0.515093 0.515093 Bi\n0.015093 0.015093 0.015093 Bi\n0.280439 0.293133 0.926107 S\n0.426107 0.793133 0.780439 S\n0.780439 0.426107 0.793133 S\n0.293133 0.926107 0.280439 S\n0.793133 0.780439 0.426107 S\n0.926107 0.280439 0.293133 S\n","nsites":14,"nelements":3,"elements":["Li","Bi","S"],"chemical_system":"Bi-Li-S","density":3.8277207323247495,"density_atomic":0.04949641204863924,"volume":282.848784801663,"volume_molar":12.166822827646879,"formula_full":"Li6 Bi2 S6","formula_reduced":"Li3BiS3","formula_anonymous":"AB3C3","energy":-60.28705071000001,"energy_per_atom":-4.306217907857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.26905071,"band_gap":2.558,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009362,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.867000Z","spacegroup":161},{"id":"mp-1214362","created_at":"2022-09-04T14:48:21.425730Z","structure_string":"Be2 H8 S2 O8\n1.0\n-4.070041 -4.070041 3.059317\n-4.070041 4.070041 -3.059317\n4.070041 -4.070041 -3.059317\nBe H S O\n2 8 2 8\ndirect\n0.500000 0.000000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.258425 0.809957 0.309957 H\n0.741575 0.190043 0.690043 H\n0.741575 0.051532 0.551532 H\n0.500000 0.551532 0.809957 H\n0.500000 0.690043 0.948468 H\n0.258425 0.948468 0.448468 H\n0.500000 0.448468 0.190043 H\n0.500000 0.309957 0.051532 H\n0.000000 0.000000 0.000000 S\n0.000000 0.500000 0.500000 S\n0.741974 0.910679 0.831295 O\n0.258026 0.089321 0.168705 O\n0.079384 0.168705 0.910679 O\n0.920616 0.589321 0.331295 O\n0.920616 0.831295 0.089321 O\n0.079384 0.410679 0.668705 O\n0.741974 0.331295 0.410679 O\n0.258026 0.668705 0.589321 O\n","nsites":20,"nelements":4,"elements":["Be","H","S","O"],"chemical_system":"Be-H-O-S","density":1.7875073862072586,"density_atomic":0.09866155498723274,"volume":202.71320477959316,"volume_molar":6.103837265467074,"formula_full":"Be2 H8 S2 O8","formula_reduced":"BeH4SO4","formula_anonymous":"ABC4D4","energy":-86.12082849000001,"energy_per_atom":-4.3060414245,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.62482849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8426037,"is_theoretical":true,"updated_at":"2021-11-28T01:38:54.271000Z","spacegroup":140},{"id":"mp-1198338","created_at":"2022-09-04T14:39:49.454984Z","structure_string":"Lu20 In40 Ni18\n1.0\n13.322337 0.000000 0.000000\n0.000000 13.322337 0.000000\n0.000000 0.000000 9.003836\nLu In Ni\n20 40 18\ndirect\n0.500000 0.000000 0.361003 Lu\n0.000000 0.500000 0.638997 Lu\n0.500000 0.000000 0.836660 Lu\n0.000000 0.500000 0.163340 Lu\n0.500000 0.275702 0.768100 Lu\n0.500000 0.724298 0.768100 Lu\n0.775702 0.000000 0.768100 Lu\n0.224298 0.000000 0.768100 Lu\n0.000000 0.224298 0.231900 Lu\n0.000000 0.775702 0.231900 Lu\n0.724298 0.500000 0.231900 Lu\n0.275702 0.500000 0.231900 Lu\n0.701985 0.201985 0.265789 Lu\n0.701985 0.798015 0.265789 Lu\n0.298015 0.201985 0.265789 Lu\n0.298015 0.798015 0.265789 Lu\n0.798015 0.298015 0.734211 Lu\n0.798015 0.701985 0.734211 Lu\n0.201985 0.298015 0.734211 Lu\n0.201985 0.701985 0.734211 Lu\n0.345853 0.654147 0.000000 In\n0.345853 0.345853 0.000000 In\n0.654147 0.654147 0.000000 In\n0.654147 0.345853 0.000000 In\n0.154147 0.845853 0.000000 In\n0.154147 0.154147 0.000000 In\n0.845853 0.845853 0.000000 In\n0.845853 0.154147 0.000000 In\n0.867702 0.132298 0.500000 In\n0.867702 0.867702 0.500000 In\n0.132298 0.132298 0.500000 In\n0.132298 0.867702 0.500000 In\n0.632298 0.367702 0.500000 In\n0.632298 0.632298 0.500000 In\n0.367702 0.367702 0.500000 In\n0.367702 0.632298 0.500000 In\n0.500000 0.834209 0.094734 In\n0.500000 0.165791 0.094734 In\n0.334209 0.000000 0.094734 In\n0.665791 0.000000 0.094734 In\n0.000000 0.665791 0.905266 In\n0.000000 0.334209 0.905266 In\n0.165791 0.500000 0.905266 In\n0.834209 0.500000 0.905266 In\n0.631910 0.131910 0.590722 In\n0.631910 0.868090 0.590722 In\n0.368090 0.131910 0.590722 In\n0.368090 0.868090 0.590722 In\n0.868090 0.368090 0.409278 In\n0.868090 0.631910 0.409278 In\n0.131910 0.368090 0.409278 In\n0.131910 0.631910 0.409278 In\n0.500000 0.615414 0.235971 In\n0.500000 0.384586 0.235971 In\n0.115414 0.000000 0.235971 In\n0.884586 0.000000 0.235971 In\n0.000000 0.884586 0.764029 In\n0.000000 0.115414 0.764029 In\n0.384586 0.500000 0.764029 In\n0.615414 0.500000 0.764029 In\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.777509 0.409287 Ni\n0.500000 0.222491 0.409287 Ni\n0.277509 0.000000 0.409287 Ni\n0.722491 0.000000 0.409287 Ni\n0.000000 0.722491 0.590713 Ni\n0.000000 0.277509 0.590713 Ni\n0.222491 0.500000 0.590713 Ni\n0.777509 0.500000 0.590713 Ni\n0.844462 0.344462 0.103353 Ni\n0.844462 0.655538 0.103353 Ni\n0.155538 0.344462 0.103353 Ni\n0.155538 0.655538 0.103353 Ni\n0.655538 0.155538 0.896647 Ni\n0.655538 0.844462 0.896647 Ni\n0.344462 0.155538 0.896647 Ni\n0.344462 0.844462 0.896647 Ni\n","nsites":78,"nelements":3,"elements":["Lu","In","Ni"],"chemical_system":"In-Lu-Ni","density":9.50632240281976,"density_atomic":0.048809706490488956,"volume":1598.0427994419317,"volume_molar":12.337998306081747,"formula_full":"Lu20 In40 Ni18","formula_reduced":"Lu10In20Ni9","formula_anonymous":"A9B10C20","energy":-335.86907296,"energy_per_atom":-4.306013755897435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-335.86907296,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0446716,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.091000Z","spacegroup":129}]}