{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12125","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12123","results":[{"id":"mp-1096501","created_at":"2022-09-04T14:46:39.903803Z","structure_string":"Na1 Zn1 Pd2\n1.0\n-5.146049 5.821293 8.225450\n5.146049 -5.821293 8.225450\n5.146049 5.821293 -8.225450\nNa Zn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Zn\n0.000000 0.267483 0.267483 Pd\n0.000000 0.732517 0.732517 Pd\n","nsites":4,"nelements":3,"elements":["Na","Zn","Pd"],"chemical_system":"Na-Pd-Zn","density":0.5075127155894895,"density_atomic":0.004058326249481015,"volume":985.6280037888837,"volume_molar":148.38976439536177,"formula_full":"Na1 Zn1 Pd2","formula_reduced":"NaZnPd2","formula_anonymous":"ABC2","energy":-7.6309136,"energy_per_atom":-1.9077284,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.6309136,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009409,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.986000Z","spacegroup":71},{"id":"mp-972825","created_at":"2022-09-04T14:47:14.035584Z","structure_string":"Si1 H8\n1.0\n-2.779461 2.779461 3.831761\n2.779461 -2.779461 3.831761\n2.779461 2.779461 -3.831761\nSi H\n1 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.451113 0.451113 0.000000 H\n0.548887 0.548887 0.000000 H\n0.700967 0.200967 0.500000 H\n0.799033 0.299033 0.500000 H\n0.113518 0.331531 0.218012 H\n0.113518 0.895506 0.781988 H\n0.668469 0.886482 0.781988 H\n0.104494 0.886482 0.218012 H\n","nsites":9,"nelements":2,"elements":["Si","H"],"chemical_system":"H-Si","density":0.5069510794667371,"density_atomic":0.07600863547708618,"volume":118.4075986038872,"volume_molar":7.922969176068757,"formula_full":"Si1 H8","formula_reduced":"SiH8","formula_anonymous":"AB8","energy":-33.85259262,"energy_per_atom":-3.76139918,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.49159262,"band_gap":6.98,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.447000Z","spacegroup":119},{"id":"mp-1093546","created_at":"2022-09-04T14:46:16.400298Z","structure_string":"Y2 Al1 Hg1\n1.0\n-5.997329 6.307839 8.779695\n5.997329 -6.307839 8.779695\n5.997329 6.307839 -8.779695\nY Al Hg\n2 1 1\ndirect\n0.000000 0.234963 0.234963 Y\n0.000000 0.765037 0.765037 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Y","Al","Hg"],"chemical_system":"Al-Hg-Y","density":0.5066837674646046,"density_atomic":0.0030108013148952414,"volume":1328.549971135899,"volume_molar":200.01787332185805,"formula_full":"Y2 Al1 Hg1","formula_reduced":"Y2AlHg","formula_anonymous":"ABC2","energy":-8.73374735,"energy_per_atom":-2.1834368375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.73374735,"band_gap":0.1492,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.9996146,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.095000Z","spacegroup":71},{"id":"mp-1097348","created_at":"2022-09-04T14:39:35.634521Z","structure_string":"Zr2 Co1 Ru1\n1.0\n-4.397500 6.673823 9.561316\n4.397500 -6.673823 9.561316\n4.397500 6.673823 -9.561316\nZr Co Ru\n2 1 1\ndirect\n0.000000 0.244807 0.244807 Zr\n0.000000 0.755193 0.755193 Zr\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Zr","Co","Ru"],"chemical_system":"Co-Ru-Zr","density":0.506628466039549,"density_atomic":0.0035637054051657208,"volume":1122.427233800486,"volume_molar":168.9853698700989,"formula_full":"Zr2 Co1 Ru1","formula_reduced":"Zr2CoRu","formula_anonymous":"ABC2","energy":-21.39950042,"energy_per_atom":-5.349875105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.39950042,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001258,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.804000Z","spacegroup":71},{"id":"mp-1097475","created_at":"2022-09-04T14:48:22.236319Z","structure_string":"Sr2 Ag1 Bi1\n1.0\n-6.131478 6.812344 9.654843\n6.131478 -6.812344 9.654843\n6.131478 6.812344 -9.654843\nSr Ag Bi\n2 1 1\ndirect\n0.000000 0.257580 0.257580 Sr\n0.000000 0.742420 0.742420 Sr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Sr","Ag","Bi"],"chemical_system":"Ag-Bi-Sr","density":0.506553650687674,"density_atomic":0.0024796651562236914,"volume":1613.121025619299,"volume_molar":242.8610469798746,"formula_full":"Sr2 Ag1 Bi1","formula_reduced":"Sr2AgBi","formula_anonymous":"ABC2","energy":-6.94437009,"energy_per_atom":-1.7360925225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.94437009,"band_gap":0.2330999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.32e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:17.856000Z","spacegroup":71},{"id":"mp-1097426","created_at":"2022-09-04T14:47:57.086679Z","structure_string":"Ca2 Hg1 Pd1\n1.0\n-5.913170 6.169882 8.703055\n5.913170 -6.169882 8.703055\n5.913170 6.169882 -8.703055\nCa Hg Pd\n2 1 1\ndirect\n0.000000 0.217905 0.217905 Ca\n0.000000 0.782095 0.782095 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Ca","Hg","Pd"],"chemical_system":"Ca-Hg-Pd","density":0.5061944353372881,"density_atomic":0.0031494233921194733,"volume":1270.0737569959156,"volume_molar":191.21407350528594,"formula_full":"Ca2 Hg1 Pd1","formula_reduced":"Ca2HgPd","formula_anonymous":"ABC2","energy":-6.09364372,"energy_per_atom":-1.52341093,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.09364372,"band_gap":0.1795,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001713,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.081000Z","spacegroup":71},{"id":"mp-1096204","created_at":"2022-09-04T14:41:51.209315Z","structure_string":"Na1 Sr1 Pb2\n1.0\n-6.362609 6.946207 9.744699\n6.362609 -6.946207 9.744699\n6.362609 6.946207 -9.744699\nNa Sr Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.247288 0.247288 Pb\n0.000000 0.752712 0.752712 Pb\n","nsites":4,"nelements":3,"elements":["Na","Sr","Pb"],"chemical_system":"Na-Pb-Sr","density":0.5060636053145533,"density_atomic":0.002321927281429428,"volume":1722.7068358219703,"volume_molar":259.3595763383529,"formula_full":"Na1 Sr1 Pb2","formula_reduced":"NaSrPb2","formula_anonymous":"ABC2","energy":-6.12316045,"energy_per_atom":-1.5307901125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.12316045,"band_gap":0.1356000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.0003379,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.114000Z","spacegroup":71},{"id":"mp-1096578","created_at":"2022-09-04T14:46:12.838234Z","structure_string":"Y2 Tl1 Zn1\n1.0\n-5.978523 6.647891 9.246771\n5.978523 -6.647891 9.246771\n5.978523 6.647891 -9.246771\nY Tl Zn\n2 1 1\ndirect\n0.000000 0.255420 0.255420 Y\n0.000000 0.744580 0.744580 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n","nsites":4,"nelements":3,"elements":["Y","Tl","Zn"],"chemical_system":"Tl-Y-Zn","density":0.5056094335962541,"density_atomic":0.0027210223141462104,"volume":1470.035721208373,"volume_molar":221.31905088362348,"formula_full":"Y2 Tl1 Zn1","formula_reduced":"Y2TlZn","formula_anonymous":"ABC2","energy":-8.46470775,"energy_per_atom":-2.1161769375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.46470775,"band_gap":0.1242,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.0000489,"is_theoretical":true,"updated_at":"2021-11-28T01:37:22.501000Z","spacegroup":71},{"id":"mp-1097220","created_at":"2022-09-04T14:46:11.526369Z","structure_string":"Sc2 Zn1 Hg1\n1.0\n-5.723503 6.047359 8.444649\n5.723503 -6.047359 8.444649\n5.723503 6.047359 -8.444649\nSc Zn Hg\n2 1 1\ndirect\n0.000000 0.247925 0.247925 Sc\n0.000000 0.752075 0.752075 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sc","Zn","Hg"],"chemical_system":"Hg-Sc-Zn","density":0.5054998525850921,"density_atomic":0.0034212966419685862,"volume":1169.1473784916916,"volume_molar":176.01925206154908,"formula_full":"Sc2 Zn1 Hg1","formula_reduced":"Sc2ZnHg","formula_anonymous":"ABC2","energy":-6.69662813,"energy_per_atom":-1.6741570325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.69662813,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7941917,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.727000Z","spacegroup":71},{"id":"mp-1096110","created_at":"2022-09-04T14:46:22.944671Z","structure_string":"Ba2 Zn1 Pd1\n1.0\n-6.024525 6.559923 9.278644\n6.024525 -6.559923 9.278644\n6.024525 6.559923 -9.278644\nBa Zn Pd\n2 1 1\ndirect\n0.000000 0.266552 0.266552 Ba\n0.000000 0.733448 0.733448 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Ba","Zn","Pd"],"chemical_system":"Ba-Pd-Zn","density":0.5054613686612356,"density_atomic":0.0027270552400625696,"volume":1466.7836357829788,"volume_molar":220.82943797874177,"formula_full":"Ba2 Zn1 Pd1","formula_reduced":"Ba2ZnPd","formula_anonymous":"ABC2","energy":-6.33354816,"energy_per_atom":-1.58338704,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.33354816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.000038,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.327000Z","spacegroup":71},{"id":"mp-1096666","created_at":"2022-09-04T14:43:06.583027Z","structure_string":"Ba2 As1 Br1\n1.0\n-6.155110 6.372880 8.993054\n6.155110 -6.372880 8.993054\n6.155110 6.372880 -8.993054\nBa As Br\n2 1 1\ndirect\n0.000000 0.233951 0.233951 Ba\n0.000000 0.766049 0.766049 Ba\n0.000000 0.000000 0.000000 As\n0.000000 0.500000 0.500000 Br\n","nsites":4,"nelements":3,"elements":["Ba","As","Br"],"chemical_system":"As-Ba-Br","density":0.5054205374746491,"density_atomic":0.002834792265540933,"volume":1411.0381380050517,"volume_molar":212.43675711986816,"formula_full":"Ba2 As1 Br1","formula_reduced":"Ba2AsBr","formula_anonymous":"ABC2","energy":-12.04504967,"energy_per_atom":-3.0112624175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.51104967,"band_gap":0.7240000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001939,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.368000Z","spacegroup":71},{"id":"mp-1097427","created_at":"2022-09-04T14:45:15.234856Z","structure_string":"Al1 Fe1 Tc2\n1.0\n-4.711575 5.778193 8.412315\n4.711575 -5.778193 8.412315\n4.711575 5.778193 -8.412315\nAl Fe Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.256271 0.256271 Tc\n0.000000 0.743729 0.743729 Tc\n","nsites":4,"nelements":3,"elements":["Al","Fe","Tc"],"chemical_system":"Al-Fe-Tc","density":0.5054166379259585,"density_atomic":0.004366428177705622,"volume":916.0805668173924,"volume_molar":137.9191530218731,"formula_full":"Al1 Fe1 Tc2","formula_reduced":"AlFeTc2","formula_anonymous":"ABC2","energy":-18.76036694,"energy_per_atom":-4.690091735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.76036694,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.1976014,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.835000Z","spacegroup":71}]}