{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=111","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=109","results":[{"id":"mp-981539","created_at":"2022-09-04T14:42:53.910810Z","structure_string":"Hf2 Ir1 Pd1\n1.0\n0.000000 3.301725 3.301725\n3.301725 0.000000 3.301725\n3.301726 3.301725 0.000000\nHf Ir Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Hf","Ir","Pd"],"chemical_system":"Hf-Ir-Pd","density":15.123299321455837,"density_atomic":0.05556575702026823,"volume":71.98678132902887,"volume_molar":10.837863250568795,"formula_full":"Hf2 Ir1 Pd1","formula_reduced":"Hf2IrPd","formula_anonymous":"ABC2","energy":-37.21152908,"energy_per_atom":-9.30288227,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.21152908,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008237,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.240000Z","spacegroup":225},{"id":"mp-981530","created_at":"2022-09-04T14:46:26.468518Z","structure_string":"Yb1 Pr1 Pd2\n1.0\n0.000000 3.575142 3.575142\n3.575142 0.000000 3.575142\n3.575142 3.575142 0.000000\nYb Pr Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pr\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n","nsites":4,"nelements":3,"elements":["Yb","Pr","Pd"],"chemical_system":"Pd-Pr-Yb","density":9.57138527922708,"density_atomic":0.04376733542604244,"volume":91.39235827502353,"volume_molar":13.759441148013563,"formula_full":"Yb1 Pr1 Pd2","formula_reduced":"YbPrPd2","formula_anonymous":"ABC2","energy":-19.93799902,"energy_per_atom":-4.984499755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.93799902,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039017,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.526000Z","spacegroup":225},{"id":"mp-981512","created_at":"2022-09-04T14:44:27.967315Z","structure_string":"Yb1 Lu1 Pt2\n1.0\n0.000000 3.421123 3.421123\n3.421123 0.000000 3.421123\n3.421123 3.421123 0.000000\nYb Lu Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n","nsites":4,"nelements":3,"elements":["Yb","Lu","Pt"],"chemical_system":"Lu-Pt-Yb","density":15.306375678692673,"density_atomic":0.04994867010905667,"volume":80.08221222439958,"volume_molar":12.056658859688174,"formula_full":"Yb1 Lu1 Pt2","formula_reduced":"YbLuPt2","formula_anonymous":"ABC2","energy":-23.03130702,"energy_per_atom":-5.757826755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.03130702,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023214,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.211000Z","spacegroup":225},{"id":"mp-981511","created_at":"2022-09-04T14:42:15.939575Z","structure_string":"Y6 Sb2 O14\n1.0\n3.746836 -5.302208 0.000000\n3.746836 5.302208 0.000000\n0.000000 0.000000 7.548455\nY Sb O\n6 2 14\ndirect\n0.500000 0.500000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.999786 0.468322 0.750000 Y\n0.000214 0.531678 0.250000 Y\n0.531678 0.000214 0.750000 Y\n0.468322 0.999786 0.250000 Y\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.636815 0.363185 0.750000 O\n0.363185 0.636815 0.250000 O\n0.369588 0.630412 0.750000 O\n0.630412 0.369588 0.250000 O\n0.930242 0.069758 0.750000 O\n0.069758 0.930242 0.250000 O\n0.072858 0.322011 0.029758 O\n0.927142 0.677989 0.529758 O\n0.677989 0.927142 0.470242 O\n0.322011 0.072858 0.970242 O\n0.927142 0.677989 0.970242 O\n0.072858 0.322011 0.470242 O\n0.322011 0.072858 0.529758 O\n0.677989 0.927142 0.029758 O\n","nsites":22,"nelements":3,"elements":["Y","Sb","O"],"chemical_system":"O-Sb-Y","density":5.5417960474610926,"density_atomic":0.07335220438772823,"volume":299.9228200929239,"volume_molar":8.209897453344292,"formula_full":"Y6 Sb2 O14","formula_reduced":"Y3SbO7","formula_anonymous":"AB3C7","energy":-191.19389232000003,"energy_per_atom":-8.69063146909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.57589232,"band_gap":2.8091000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034559,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.215000Z","spacegroup":63},{"id":"mp-9815","created_at":"2022-09-04T14:42:51.296499Z","structure_string":"Ta2 Tl2 Cu4 S8\n1.0\n2.788765 -9.413678 0.000000\n2.788765 9.413678 0.000000\n0.000000 0.000000 7.516307\nTa Tl Cu S\n2 2 4 8\ndirect\n0.604274 0.385938 0.250000 Ta\n0.385938 0.604274 0.750000 Ta\n0.148272 0.511313 0.250000 Tl\n0.511313 0.148272 0.750000 Tl\n0.890930 0.100708 0.750000 Cu\n0.511516 0.511516 0.000000 Cu\n0.100708 0.890930 0.250000 Cu\n0.511516 0.511516 0.500000 Cu\n0.843164 0.634895 0.498253 S\n0.634895 0.843164 0.501747 S\n0.843164 0.634895 0.001747 S\n0.634895 0.843164 0.998253 S\n0.449213 0.038637 0.250000 S\n0.251966 0.265601 0.750000 S\n0.265601 0.251966 0.250000 S\n0.038637 0.449213 0.750000 S\n","nsites":16,"nelements":4,"elements":["Ta","Tl","Cu","S"],"chemical_system":"Cu-S-Ta-Tl","density":5.3915874215011685,"density_atomic":0.040542844759365836,"volume":394.6442361152723,"volume_molar":14.853769625055284,"formula_full":"Ta2 Tl2 Cu4 S8","formula_reduced":"TaTl(CuS2)2","formula_anonymous":"ABC2D4","energy":-92.29293593,"energy_per_atom":-5.768308495625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.26893593,"band_gap":1.7972,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027742,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.734000Z","spacegroup":40},{"id":"mp-981458","created_at":"2022-09-04T14:47:06.146116Z","structure_string":"Yb1 Ta1\n1.0\n1.550715 -2.685917 0.000000\n1.550715 2.685917 0.000000\n0.000000 0.000000 5.399026\nYb Ta\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.500000 Ta\n","nsites":2,"nelements":2,"elements":["Yb","Ta"],"chemical_system":"Ta-Yb","density":13.069756601648919,"density_atomic":0.04446927051924422,"volume":44.97487763228528,"volume_molar":13.542252188269874,"formula_full":"Yb1 Ta1","formula_reduced":"YbTa","formula_anonymous":"AB","energy":-12.01963121,"energy_per_atom":-6.009815605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.01963121,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2395319,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.404000Z","spacegroup":187},{"id":"mp-981435","created_at":"2022-09-04T14:46:37.915103Z","structure_string":"La1 Np3\n1.0\n4.567637 0.000000 0.000000\n0.000000 4.567637 0.000000\n0.000000 0.000000 4.567637\nLa Np\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n0.500000 0.000000 0.500000 Np\n","nsites":4,"nelements":2,"elements":["La","Np"],"chemical_system":"La-Np","density":14.80965614219923,"density_atomic":0.041974472255764186,"volume":95.29601648417857,"volume_molar":14.347150628375092,"formula_full":"La1 Np3","formula_reduced":"LaNp3","formula_anonymous":"AB3","energy":-40.95513721,"energy_per_atom":-10.2387843025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.95513721,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.7102427,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.917000Z","spacegroup":221},{"id":"mp-9814","created_at":"2022-09-04T14:47:14.727087Z","structure_string":"Cu3 Sb1 Se4\n1.0\n-2.860627 2.860627 5.687590\n2.860627 -2.860627 5.687590\n2.860627 2.860627 -5.687590\nCu Sb Se\n3 1 4\ndirect\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.132401 0.599315 0.000000 Se\n0.599315 0.132401 0.000000 Se\n0.867599 0.867599 0.466915 Se\n0.400685 0.400685 0.533085 Se\n","nsites":8,"nelements":3,"elements":["Cu","Sb","Se"],"chemical_system":"Cu-Sb-Se","density":5.603541068360231,"density_atomic":0.0429713746443453,"volume":186.17044640094468,"volume_molar":14.014307919731554,"formula_full":"Cu3 Sb1 Se4","formula_reduced":"Cu3SbSe4","formula_anonymous":"AB3C4","energy":-33.7471823,"energy_per_atom":-4.2183977875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.8591823,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.87e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:01.718000Z","spacegroup":121},{"id":"mp-981397","created_at":"2022-09-04T14:45:22.014953Z","structure_string":"Yb1 Pr1 Mg2\n1.0\n0.000000 3.929430 3.929430\n3.929430 0.000000 3.929430\n3.929430 3.929430 0.000000\nYb Pr Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pr\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n","nsites":4,"nelements":3,"elements":["Yb","Pr","Mg"],"chemical_system":"Mg-Pr-Yb","density":4.961437278036547,"density_atomic":0.032964107827345754,"volume":121.3441001027716,"volume_molar":18.26878128036053,"formula_full":"Yb1 Pr1 Mg2","formula_reduced":"YbPrMg2","formula_anonymous":"ABC2","energy":-9.87788249,"energy_per_atom":-2.4694706225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.87788249,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0185791,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.173000Z","spacegroup":225},{"id":"mp-981396","created_at":"2022-09-04T14:39:43.000828Z","structure_string":"Y2 B8 Ir8\n1.0\n7.639407 0.000000 0.000000\n0.000000 7.639407 0.000000\n0.000000 0.000000 3.997173\nY B Ir\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.341833 0.778835 0.888758 B\n0.658167 0.221165 0.888758 B\n0.778835 0.658167 0.111242 B\n0.221165 0.341833 0.111242 B\n0.278835 0.158167 0.388758 B\n0.721165 0.841833 0.388758 B\n0.841833 0.278835 0.611242 B\n0.158167 0.721165 0.611242 B\n0.390461 0.159879 0.887493 Ir\n0.609539 0.840121 0.887493 Ir\n0.840121 0.390461 0.112507 Ir\n0.159879 0.609539 0.112507 Ir\n0.340121 0.890461 0.387493 Ir\n0.659879 0.109539 0.387493 Ir\n0.890461 0.659879 0.612507 Ir\n0.109539 0.340121 0.612507 Ir\n","nsites":18,"nelements":3,"elements":["Y","B","Ir"],"chemical_system":"B-Ir-Y","density":12.827447510520704,"density_atomic":0.07716142923684195,"volume":233.277172001962,"volume_molar":7.804599810503034,"formula_full":"Y2 B8 Ir8","formula_reduced":"Y(BIr)4","formula_anonymous":"AB4C4","energy":-147.17699618,"energy_per_atom":-8.176499787777779,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.17699618,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000294,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.836000Z","spacegroup":86},{"id":"mp-981393","created_at":"2022-09-04T14:45:13.201258Z","structure_string":"Lu2 Hg1 Au1\n1.0\n0.000000 3.591086 3.591086\n3.591086 0.000000 3.591086\n3.591086 3.591086 0.000000\nLu Hg Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Lu\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Lu","Hg","Au"],"chemical_system":"Au-Hg-Lu","density":13.401314582501701,"density_atomic":0.04318695440972482,"volume":92.62056226635147,"volume_molar":13.944351580957829,"formula_full":"Lu2 Hg1 Au1","formula_reduced":"Lu2HgAu","formula_anonymous":"ABC2","energy":-15.32844942,"energy_per_atom":-3.832112355,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.32844942,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0090767,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.556000Z","spacegroup":225},{"id":"mp-981392","created_at":"2022-09-04T14:42:10.134786Z","structure_string":"Ho1 Hf1 Os2\n1.0\n0.000000 3.319989 3.319989\n3.319989 0.000000 3.319989\n3.319989 3.319989 0.000000\nHo Hf Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n","nsites":4,"nelements":3,"elements":["Ho","Hf","Os"],"chemical_system":"Hf-Ho-Os","density":16.423886578476395,"density_atomic":0.05465376201195234,"volume":73.18800852401033,"volume_molar":11.018712231891751,"formula_full":"Ho1 Hf1 Os2","formula_reduced":"HoHfOs2","formula_anonymous":"ABC2","energy":-38.51307776,"energy_per_atom":-9.62826944,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.51307776,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014293,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.781000Z","spacegroup":225}]}