{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density_atomic&page=10226","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density_atomic&page=10224","results":[{"id":"mp-1226810","created_at":"2022-09-04T14:43:49.968269Z","structure_string":"Cd1 Ga2 Se2 S2\n1.0\n5.838012 0.085487 0.000000\n0.085234 5.734173 0.000000\n2.961623 2.909830 5.317637\nCd Ga Se S\n1 2 2 2\ndirect\n0.003677 0.003677 0.992646 Cd\n0.745758 0.245758 0.508483 Ga\n0.504713 0.504713 0.990573 Ga\n0.586692 0.604977 0.274071 Se\n0.139237 0.120952 0.274071 Se\n0.855595 0.394481 0.730078 S\n0.414328 0.875442 0.730078 S\n","nsites":7,"nelements":4,"elements":["Cd","Ga","Se","S"],"chemical_system":"Cd-Ga-S-Se","density":4.421628971812413,"density_atomic":0.03933128323946526,"volume":177.97537795502575,"volume_molar":15.311325397990945,"formula_full":"Cd1 Ga2 Se2 S2","formula_reduced":"CdGa2(SeS)2","formula_anonymous":"AB2C2D2","energy":-28.73707743,"energy_per_atom":-4.105296775714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.78707743,"band_gap":1.6405,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.07e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.886000Z","spacegroup":5},{"id":"mp-1017478","created_at":"2022-09-04T14:45:27.803200Z","structure_string":"La2 Mg12 Cd2\n1.0\n5.167138 0.000000 0.000000\n0.000000 6.744458 0.000000\n0.000000 0.000000 11.673125\nLa Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.330970 La\n0.000000 0.000000 0.830970 La\n0.000000 0.254914 0.080562 Mg\n0.000000 0.745086 0.080562 Mg\n0.000000 0.500000 0.837261 Mg\n0.500000 0.262274 0.921809 Mg\n0.500000 0.737726 0.921809 Mg\n0.500000 0.500000 0.667107 Mg\n0.000000 0.754914 0.580562 Mg\n0.000000 0.245086 0.580562 Mg\n0.000000 0.000000 0.337261 Mg\n0.500000 0.762274 0.421809 Mg\n0.500000 0.237726 0.421809 Mg\n0.500000 0.000000 0.167107 Mg\n0.500000 0.500000 0.159921 Cd\n0.500000 0.000000 0.659921 Cd\n","nsites":16,"nelements":3,"elements":["La","Mg","Cd"],"chemical_system":"Cd-La-Mg","density":3.242242905977798,"density_atomic":0.03933106728035579,"volume":406.8030975602669,"volume_molar":15.311409469449625,"formula_full":"La2 Mg12 Cd2","formula_reduced":"LaMg6Cd","formula_anonymous":"ABC6","energy":-31.27713143,"energy_per_atom":-1.954820714375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.27713143,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029682,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.552000Z","spacegroup":38},{"id":"mp-998918","created_at":"2022-09-04T14:42:24.376085Z","structure_string":"Tl1 Fe1 Se2\n1.0\n-1.886803 1.886803 7.141869\n1.886803 -1.886803 7.141869\n1.886803 1.886803 -7.141869\nTl Fe Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.500000 Fe\n0.647909 0.647909 0.000000 Se\n0.352091 0.352091 0.000000 Se\n","nsites":4,"nelements":3,"elements":["Tl","Fe","Se"],"chemical_system":"Fe-Se-Tl","density":6.827385816009002,"density_atomic":0.039331001389738815,"volume":101.70094476779765,"volume_molar":15.311435120416574,"formula_full":"Tl1 Fe1 Se2","formula_reduced":"TlFeSe2","formula_anonymous":"ABC2","energy":-19.42763923,"energy_per_atom":-4.8569098075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.48363923,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7689495,"is_theoretical":false,"updated_at":"2021-11-28T01:35:42.198000Z","spacegroup":119},{"id":"mp-20566","created_at":"2022-09-04T14:45:21.867502Z","structure_string":"Mg1 In3\n1.0\n4.667760 0.000000 0.000000\n0.000000 4.667760 0.000000\n0.000000 0.000000 4.667760\nMg In\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.500000 In\n","nsites":4,"nelements":2,"elements":["Mg","In"],"chemical_system":"In-Mg","density":6.020965960727456,"density_atomic":0.03933095006679131,"volume":101.7010774773366,"volume_molar":15.311455100304666,"formula_full":"Mg1 In3","formula_reduced":"MgIn3","formula_anonymous":"AB3","energy":-9.90879206,"energy_per_atom":-2.477198015,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.90879206,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002053,"is_theoretical":false,"updated_at":"2021-11-28T01:37:00.099000Z","spacegroup":221},{"id":"mp-17324","created_at":"2022-09-04T14:46:07.921446Z","structure_string":"Zr4 Sn4 S12\n1.0\n3.753871 0.000000 0.000000\n0.000000 9.572513 0.000000\n0.000000 0.000000 14.151665\nZr Sn S\n4 4 12\ndirect\n0.250000 0.157587 0.952584 Zr\n0.750000 0.842413 0.047416 Zr\n0.250000 0.657587 0.547416 Zr\n0.750000 0.342413 0.452584 Zr\n0.750000 0.444468 0.834042 Sn\n0.250000 0.555532 0.165958 Sn\n0.750000 0.944468 0.665958 Sn\n0.250000 0.055532 0.334042 Sn\n0.250000 0.010635 0.106569 S\n0.750000 0.989365 0.893431 S\n0.250000 0.510635 0.393431 S\n0.750000 0.489365 0.606569 S\n0.750000 0.323264 0.007929 S\n0.250000 0.676736 0.992071 S\n0.750000 0.823264 0.492071 S\n0.250000 0.176736 0.507929 S\n0.750000 0.233606 0.287312 S\n0.250000 0.766394 0.712688 S\n0.750000 0.733606 0.212688 S\n0.250000 0.266394 0.787312 S\n","nsites":20,"nelements":3,"elements":["Zr","Sn","S"],"chemical_system":"S-Sn-Zr","density":3.9985332635709985,"density_atomic":0.03932938427115395,"volume":508.52563218664363,"volume_molar":15.312064685479774,"formula_full":"Zr4 Sn4 S12","formula_reduced":"ZrSnS3","formula_anonymous":"ABC3","energy":-127.82974626,"energy_per_atom":-6.391487313,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-121.79374626,"band_gap":0.9944000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0044995,"is_theoretical":false,"updated_at":"2021-11-28T01:37:23.088000Z","spacegroup":62},{"id":"mp-1104820","created_at":"2022-09-04T14:44:07.824508Z","structure_string":"Ho10 Ru4\n1.0\n0.000000 6.301741 0.000000\n0.001463 0.000000 7.268312\n7.771535 -3.150871 -0.982438\nHo Ru\n10 4\ndirect\n0.977778 0.915678 0.186541 Ho\n0.791237 0.584322 0.813459 Ho\n0.022222 0.084322 0.813459 Ho\n0.208763 0.415678 0.186541 Ho\n0.641016 0.814566 0.435214 Ho\n0.205802 0.685434 0.564786 Ho\n0.358984 0.185434 0.564786 Ho\n0.794198 0.314566 0.435214 Ho\n0.418767 0.750000 0.000000 Ho\n0.581233 0.250000 0.000000 Ho\n0.822471 0.576002 0.219963 Ru\n0.602508 0.923998 0.780037 Ru\n0.177529 0.423998 0.780037 Ru\n0.397492 0.076002 0.219963 Ru\n","nsites":14,"nelements":2,"elements":["Ho","Ru"],"chemical_system":"Ho-Ru","density":9.579645343265685,"density_atomic":0.039329286386422156,"volume":355.9688284818025,"volume_molar":15.312102794926515,"formula_full":"Ho10 Ru4","formula_reduced":"Ho5Ru2","formula_anonymous":"A2B5","energy":-88.16083967,"energy_per_atom":-6.297202833571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.16083967,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023114,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.391000Z","spacegroup":15},{"id":"mp-1232191","created_at":"2022-09-04T14:46:35.130647Z","structure_string":"Tm4 Mg4 S12\n1.0\n6.994422 0.000000 -2.896384\n0.000000 11.561770 0.000000\n-1.586679 0.000000 6.945426\nTm Mg S\n4 4 12\ndirect\n0.027457 0.000000 0.246589 Tm\n0.972543 0.000000 0.753411 Tm\n0.527457 0.500000 0.246589 Tm\n0.472543 0.500000 0.753411 Tm\n0.000000 0.339640 0.000000 Mg\n0.000000 0.660360 0.000000 Mg\n0.500000 0.839640 0.000000 Mg\n0.500000 0.160360 0.000000 Mg\n0.225975 0.149205 0.146784 S\n0.774025 0.850795 0.853216 S\n0.774025 0.149205 0.853216 S\n0.225975 0.850795 0.146784 S\n0.725975 0.649205 0.146784 S\n0.274025 0.350795 0.853216 S\n0.274025 0.649205 0.853216 S\n0.725975 0.350795 0.146784 S\n0.293611 0.000000 0.701734 S\n0.706389 0.000000 0.298266 S\n0.793611 0.500000 0.701734 S\n0.206389 0.500000 0.298266 S\n","nsites":20,"nelements":3,"elements":["Tm","Mg","S"],"chemical_system":"Mg-S-Tm","density":3.7804523254428135,"density_atomic":0.03932917267822891,"volume":508.5283680800948,"volume_molar":15.312147065157113,"formula_full":"Tm4 Mg4 S12","formula_reduced":"TmMgS3","formula_anonymous":"ABC3","energy":-105.06507571,"energy_per_atom":-5.2532537855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.02907571,"band_gap":0.2669000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9990781,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.942000Z","spacegroup":12},{"id":"mp-1206531","created_at":"2022-09-04T14:46:39.466819Z","structure_string":"Sr2 Cl2 O2\n1.0\n2.136210 -3.700025 0.000000\n2.136210 3.700025 0.000000\n0.000000 0.000000 9.650737\nSr Cl O\n2 2 2\ndirect\n0.666667 0.333333 0.439128 Sr\n0.333333 0.666667 0.939128 Sr\n0.666667 0.333333 0.749150 Cl\n0.333333 0.666667 0.249150 Cl\n0.000000 0.000000 0.984533 O\n0.000000 0.000000 0.484533 O\n","nsites":6,"nelements":3,"elements":["Sr","Cl","O"],"chemical_system":"Cl-O-Sr","density":3.027477778875559,"density_atomic":0.039328933717534154,"volume":152.55943736214235,"volume_molar":15.312240101020405,"formula_full":"Sr2 Cl2 O2","formula_reduced":"SrClO","formula_anonymous":"ABC","energy":-30.775906379999995,"energy_per_atom":-5.1293177299999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.17390638,"band_gap":0.7333,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001283,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.487000Z","spacegroup":186},{"id":"mp-1079607","created_at":"2022-09-04T14:43:48.575896Z","structure_string":"Li2 La2 Sn4\n1.0\n2.308542 -9.632370 0.000000\n2.308542 9.632370 0.000000\n0.000000 0.000000 4.573929\nLi La Sn\n2 2 4\ndirect\n0.676838 0.323162 0.250000 Li\n0.323162 0.676838 0.750000 Li\n0.894568 0.105432 0.250000 La\n0.105432 0.894569 0.750000 La\n0.544056 0.455944 0.250000 Sn\n0.455944 0.544056 0.750000 Sn\n0.248591 0.751409 0.250000 Sn\n0.751409 0.248591 0.750000 Sn\n","nsites":8,"nelements":3,"elements":["Li","La","Sn"],"chemical_system":"La-Li-Sn","density":6.257337337082507,"density_atomic":0.039327798478939954,"volume":203.41845486937189,"volume_molar":15.312682105063312,"formula_full":"Li2 La2 Sn4","formula_reduced":"LiLaSn2","formula_anonymous":"ABC2","energy":-34.80406409,"energy_per_atom":-4.35050801125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.80406409,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029539,"is_theoretical":false,"updated_at":"2021-11-28T01:36:21.543000Z","spacegroup":63},{"id":"mp-1207953","created_at":"2022-09-04T14:47:15.086003Z","structure_string":"Tm10 Ge4 Sb4\n1.0\n3.905204 -7.481872 0.000000\n3.905204 7.481872 0.000000\n0.000000 0.000000 7.832515\nTm Ge Sb\n10 4 4\ndirect\n0.036795 0.291179 0.336565 Tm\n0.963205 0.708821 0.663435 Tm\n0.463205 0.208821 0.836565 Tm\n0.791179 0.536795 0.163435 Tm\n0.536795 0.791179 0.163435 Tm\n0.208821 0.463205 0.836565 Tm\n0.708821 0.963205 0.663435 Tm\n0.291179 0.036795 0.336565 Tm\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.361315 0.361315 0.137812 Ge\n0.638685 0.638685 0.862188 Ge\n0.138685 0.138685 0.637812 Ge\n0.861315 0.861315 0.362188 Ge\n0.794864 0.205136 0.000000 Sb\n0.205136 0.794864 0.000000 Sb\n0.705136 0.294864 0.500000 Sb\n0.294864 0.705136 0.500000 Sb\n","nsites":18,"nelements":3,"elements":["Tm","Ge","Sb"],"chemical_system":"Ge-Sb-Tm","density":8.949995637192707,"density_atomic":0.03932667912430354,"volume":457.70455072256937,"volume_molar":15.313117949688182,"formula_full":"Tm10 Ge4 Sb4","formula_reduced":"Tm5(GeSb)2","formula_anonymous":"A2B2C5","energy":-97.37108966,"energy_per_atom":-5.409504981111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.60308966,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5212252,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.616000Z","spacegroup":64},{"id":"mp-1185916","created_at":"2022-09-04T14:43:17.559158Z","structure_string":"Mg2 In4\n1.0\n1.616963 -8.437802 0.000000\n1.616963 8.437802 0.000000\n0.000000 0.000000 5.591347\nMg In\n2 4\ndirect\n0.610121 0.389879 0.250000 Mg\n0.389879 0.610121 0.750000 Mg\n0.275891 0.724109 0.250000 In\n0.945862 0.054138 0.250000 In\n0.724109 0.275891 0.750000 In\n0.054138 0.945862 0.750000 In\n","nsites":6,"nelements":2,"elements":["Mg","In"],"chemical_system":"In-Mg","density":5.527593087401641,"density_atomic":0.03932560356284247,"volume":152.57235633807824,"volume_molar":15.313536765879757,"formula_full":"Mg2 In4","formula_reduced":"MgIn2","formula_anonymous":"AB2","energy":-14.1684718,"energy_per_atom":-2.3614119666666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.1684718,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020759,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.471000Z","spacegroup":63},{"id":"mp-866133","created_at":"2022-09-04T14:41:56.686641Z","structure_string":"Lu2 Tl1 Cd1\n1.0\n0.000000 3.704989 3.704989\n3.704989 0.000000 3.704989\n3.704989 3.704989 0.000000\nLu Tl Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Lu","Tl","Cd"],"chemical_system":"Cd-Lu-Tl","density":10.884468395827392,"density_atomic":0.039325044879658405,"volume":101.71634926903981,"volume_molar":15.313754322287021,"formula_full":"Lu2 Tl1 Cd1","formula_reduced":"Lu2TlCd","formula_anonymous":"ABC2","energy":-13.45173719,"energy_per_atom":-3.3629342975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.45173719,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018343,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.329000Z","spacegroup":225}]}