{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=39","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=37","results":[{"id":"mp-1188036","created_at":"2022-09-04T14:46:13.328393Z","structure_string":"Zr2 Ni2 H2\n1.0\n1.661094 -5.131486 0.000000\n1.661094 5.131486 0.000000\n0.000000 0.000000 4.067926\nZr Ni H\n2 2 2\ndirect\n0.142670 0.857330 0.750000 Zr\n0.857330 0.142670 0.250000 Zr\n0.427442 0.572558 0.750000 Ni\n0.572558 0.427442 0.250000 Ni\n0.782751 0.217249 0.750000 H\n0.217249 0.782751 0.250000 H\n","nsites":6,"nelements":3,"elements":["Zr","Ni","H"],"chemical_system":"H-Ni-Zr","density":7.227712322158143,"density_atomic":0.08651887282519537,"volume":69.34903107351539,"volume_molar":6.960493778238726,"formula_full":"Zr2 Ni2 H2","formula_reduced":"ZrNiH","formula_anonymous":"ABC","energy":-38.40431257,"energy_per_atom":-6.400718761666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.04631257,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.43e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:24.148000Z","spacegroup":63},{"id":"mp-961662","created_at":"2022-09-04T14:41:14.302876Z","structure_string":"Zr1 Ni1 Ge1\n1.0\n0.000000 3.091345 3.091345\n3.091345 0.000000 3.091345\n3.091345 3.091345 0.000000\nZr Ni Ge\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ge\n","nsites":3,"nelements":3,"elements":["Zr","Ni","Ge"],"chemical_system":"Ge-Ni-Zr","density":6.254876127803311,"density_atomic":0.050774871324448155,"volume":59.08434471118978,"volume_molar":11.860474685438213,"formula_full":"Zr1 Ni1 Ge1","formula_reduced":"ZrNiGe","formula_anonymous":"ABC","energy":-18.82299134,"energy_per_atom":-6.274330446666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.82299134,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0148602,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.767000Z","spacegroup":216},{"id":"mp-1102687","created_at":"2022-09-04T14:40:17.401921Z","structure_string":"Zr4 Ni4 Ge4\n1.0\n3.891686 0.000000 0.000000\n0.000000 6.595046 0.000000\n0.000000 0.000000 7.453263\nZr Ni Ge\n4 4 4\ndirect\n0.250000 0.019851 0.811509 Zr\n0.250000 0.519851 0.688491 Zr\n0.750000 0.980149 0.188491 Zr\n0.750000 0.480149 0.311509 Zr\n0.250000 0.139969 0.439469 Ni\n0.250000 0.639969 0.060531 Ni\n0.750000 0.860031 0.560531 Ni\n0.750000 0.360031 0.939469 Ni\n0.250000 0.767618 0.383053 Ge\n0.250000 0.267618 0.116947 Ge\n0.750000 0.232382 0.616947 Ge\n0.750000 0.732382 0.883053 Ge\n","nsites":12,"nelements":3,"elements":["Zr","Ni","Ge"],"chemical_system":"Ge-Ni-Zr","density":7.727678766701975,"density_atomic":0.06273056204452167,"volume":191.2943166599282,"volume_molar":9.60001084595084,"formula_full":"Zr4 Ni4 Ge4","formula_reduced":"ZrNiGe","formula_anonymous":"ABC","energy":-85.24045992,"energy_per_atom":-7.1033716600000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.24045992,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003081,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.335000Z","spacegroup":62},{"id":"mp-1206530","created_at":"2022-09-04T14:39:27.919944Z","structure_string":"Zr1 Ni1 F6\n1.0\n0.000000 4.055489 4.055489\n4.055489 0.000000 4.055489\n4.055489 4.055489 0.000000\nZr Ni F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ni\n0.748874 0.251126 0.251126 F\n0.251126 0.748874 0.748874 F\n0.251126 0.748874 0.251126 F\n0.748874 0.251126 0.748874 F\n0.251126 0.251126 0.748874 F\n0.748874 0.748874 0.251126 F\n","nsites":8,"nelements":3,"elements":["Zr","Ni","F"],"chemical_system":"F-Ni-Zr","density":3.285047672498348,"density_atomic":0.05996948344736889,"volume":133.40118240339777,"volume_molar":10.042008724796206,"formula_full":"Zr1 Ni1 F6","formula_reduced":"ZrNiF6","formula_anonymous":"ABC6","energy":-53.02501105,"energy_per_atom":-6.62812638125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.71201105,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001255,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.787000Z","spacegroup":225},{"id":"mp-31452","created_at":"2022-09-04T14:46:16.692718Z","structure_string":"Zr1 Ni1 Bi1\n1.0\n0.000000 3.145945 3.145945\n3.145945 0.000000 3.145945\n3.145945 3.145945 0.000000\nZr Ni Bi\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Bi\n","nsites":3,"nelements":3,"elements":["Zr","Ni","Bi"],"chemical_system":"Bi-Ni-Zr","density":9.570541724600924,"density_atomic":0.04817679247539333,"volume":62.27064621481958,"volume_molar":12.50008655739349,"formula_full":"Zr1 Ni1 Bi1","formula_reduced":"ZrNiBi","formula_anonymous":"ABC","energy":-19.14162643,"energy_per_atom":-6.380542143333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.14162643,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006907,"is_theoretical":false,"updated_at":"2021-11-28T01:37:23.811000Z","spacegroup":216},{"id":"mp-1207428","created_at":"2022-09-04T14:43:53.727557Z","structure_string":"Zr4 Ni4 As4\n1.0\n3.901669 0.000000 0.000000\n0.000000 6.495929 0.000000\n0.000000 0.000000 7.337341\nZr Ni As\n4 4 4\ndirect\n0.250000 0.487176 0.188734 Zr\n0.750000 0.512824 0.811266 Zr\n0.750000 0.012824 0.688734 Zr\n0.250000 0.987176 0.311266 Zr\n0.250000 0.834353 0.925242 Ni\n0.750000 0.165647 0.074758 Ni\n0.750000 0.665647 0.425242 Ni\n0.250000 0.334353 0.574758 Ni\n0.250000 0.716967 0.604450 As\n0.750000 0.283033 0.395550 As\n0.750000 0.783033 0.104450 As\n0.250000 0.216967 0.895550 As\n","nsites":12,"nelements":3,"elements":["Zr","Ni","As"],"chemical_system":"As-Ni-Zr","density":8.030643337384195,"density_atomic":0.06452839310056958,"volume":185.9646494109595,"volume_molar":9.33254412614041,"formula_full":"Zr4 Ni4 As4","formula_reduced":"ZrNiAs","formula_anonymous":"ABC","energy":-86.61666766,"energy_per_atom":-7.218055638333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.61666766,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000359,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.546000Z","spacegroup":62},{"id":"mp-1215311","created_at":"2022-09-04T14:47:20.330420Z","structure_string":"Zr2 Ni10 B4 O20\n1.0\n3.143384 0.000000 0.000000\n0.000000 9.353068 0.000000\n0.000000 0.000000 12.499648\nZr Ni B O\n2 10 4 20\ndirect\n0.000000 0.011144 0.616251 Zr\n0.000000 0.988856 0.116251 Zr\n0.500000 0.268346 0.219776 Ni\n0.500000 0.262491 0.785678 Ni\n0.500000 0.737509 0.285678 Ni\n0.500000 0.731654 0.719776 Ni\n0.500000 0.266370 0.496048 Ni\n0.500000 0.733630 0.996048 Ni\n0.000000 0.733647 0.495440 Ni\n0.000000 0.266353 0.995440 Ni\n0.000000 0.487003 0.383983 Ni\n0.000000 0.512997 0.883983 Ni\n0.000000 0.528257 0.140282 B\n0.000000 0.975683 0.860151 B\n0.000000 0.024317 0.360151 B\n0.000000 0.471743 0.640282 B\n0.000000 0.377886 0.140849 O\n0.000000 0.122693 0.856152 O\n0.000000 0.877307 0.356152 O\n0.000000 0.622114 0.640849 O\n0.000000 0.397432 0.543905 O\n0.000000 0.099259 0.456924 O\n0.000000 0.900741 0.956924 O\n0.000000 0.602568 0.043905 O\n0.500000 0.358132 0.356902 O\n0.500000 0.149518 0.645454 O\n0.500000 0.850482 0.145454 O\n0.500000 0.641868 0.856902 O\n0.000000 0.601341 0.236732 O\n0.000000 0.896715 0.764679 O\n0.000000 0.103285 0.264679 O\n0.000000 0.398659 0.736732 O\n0.500000 0.639669 0.424127 O\n0.500000 0.866649 0.576668 O\n0.500000 0.133351 0.076668 O\n0.500000 0.360331 0.924127 O\n","nsites":36,"nelements":4,"elements":["Zr","Ni","B","O"],"chemical_system":"B-Ni-O-Zr","density":5.11778114376572,"density_atomic":0.09796099498524131,"volume":367.4932048763257,"volume_molar":6.147488355857644,"formula_full":"Zr2 Ni10 B4 O20","formula_reduced":"ZrNi5(BO5)2","formula_anonymous":"AB2C5D10","energy":-274.83609435,"energy_per_atom":-7.634335954166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-235.68609435,"band_gap":1.4703,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0004889,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.183000Z","spacegroup":26},{"id":"mp-2439","created_at":"2022-09-04T14:42:15.358013Z","structure_string":"Zr1 Ni5\n1.0\n0.000000 3.346896 3.346896\n3.346896 0.000000 3.346896\n3.346896 3.346896 0.000000\nZr Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Ni\n0.376028 0.871917 0.376028 Ni\n0.376028 0.376028 0.871917 Ni\n0.871917 0.376028 0.376028 Ni\n0.376028 0.376028 0.376028 Ni\n","nsites":6,"nelements":2,"elements":["Zr","Ni"],"chemical_system":"Ni-Zr","density":8.519311052653425,"density_atomic":0.08001927316474641,"volume":74.98193575998866,"volume_molar":7.525862860065488,"formula_full":"Zr1 Ni5","formula_reduced":"ZrNi5","formula_anonymous":"AB5","energy":-39.36706757,"energy_per_atom":-6.561177928333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.36706757,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7788808,"is_theoretical":false,"updated_at":"2021-11-28T01:35:41.906000Z","spacegroup":216},{"id":"mp-30807","created_at":"2022-09-04T14:48:10.994684Z","structure_string":"Zr1 Ni4 Sn1\n1.0\n0.000000 3.463763 3.463763\n3.463763 0.000000 3.463763\n3.463763 3.463763 0.000000\nZr Ni Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.625367 0.625367 0.625367 Ni\n0.123900 0.625367 0.625367 Ni\n0.625367 0.123900 0.625367 Ni\n0.625367 0.625367 0.123900 Ni\n0.250000 0.250000 0.250000 Sn\n","nsites":6,"nelements":3,"elements":["Zr","Ni","Sn"],"chemical_system":"Ni-Sn-Zr","density":8.884830501653575,"density_atomic":0.07218995123293104,"volume":83.11406085647788,"volume_molar":8.342076226881932,"formula_full":"Zr1 Ni4 Sn1","formula_reduced":"ZrNi4Sn","formula_anonymous":"ABC4","energy":-37.92525796,"energy_per_atom":-6.320876326666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.92525796,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.290189,"is_theoretical":false,"updated_at":"2021-11-28T01:38:32.703000Z","spacegroup":216},{"id":"mp-1206021","created_at":"2022-09-04T14:46:02.507919Z","structure_string":"Zr1 Ni4 O1\n1.0\n0.000000 3.325010 3.325010\n3.325010 0.000000 3.325010\n3.325010 3.325010 0.000000\nZr Ni O\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.625024 0.625024 0.625024 Ni\n0.625024 0.625024 0.124929 Ni\n0.625024 0.124929 0.625024 Ni\n0.124929 0.625024 0.625024 Ni\n0.250000 0.250000 0.250000 O\n","nsites":6,"nelements":3,"elements":["Zr","Ni","O"],"chemical_system":"Ni-O-Zr","density":7.724360438594108,"density_atomic":0.08160981387251538,"volume":73.52056958949498,"volume_molar":7.379186980388571,"formula_full":"Zr1 Ni4 O1","formula_reduced":"ZrNi4O","formula_anonymous":"ABC4","energy":-30.09017688,"energy_per_atom":-5.01502948,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.23917688,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9289097,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.703000Z","spacegroup":216},{"id":"mp-485","created_at":"2022-09-04T14:41:54.781249Z","structure_string":"Zr2 Ni6\n1.0\n2.657819 -4.603477 0.000000\n2.657819 4.603477 0.000000\n0.000000 0.000000 4.305186\nZr Ni\n2 6\ndirect\n0.666667 0.333333 0.750000 Zr\n0.333333 0.666667 0.250000 Zr\n0.155709 0.311419 0.750000 Ni\n0.844291 0.155709 0.250000 Ni\n0.844291 0.688581 0.250000 Ni\n0.155709 0.844291 0.750000 Ni\n0.688581 0.844291 0.750000 Ni\n0.311419 0.155709 0.250000 Ni\n","nsites":8,"nelements":2,"elements":["Zr","Ni"],"chemical_system":"Ni-Zr","density":8.426584523462969,"density_atomic":0.07593756947158822,"volume":105.34969785928126,"volume_molar":7.93038386915078,"formula_full":"Zr2 Ni6","formula_reduced":"ZrNi3","formula_anonymous":"AB3","energy":-55.44386553,"energy_per_atom":-6.93048319125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.44386553,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005354,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.805000Z","spacegroup":194},{"id":"mp-19877","created_at":"2022-09-04T14:40:55.969713Z","structure_string":"Zr1 Ni2 Sn1\n1.0\n0.000000 3.159187 3.159187\n3.159187 0.000000 3.159187\n3.159187 3.159187 0.000000\nZr Ni Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Zr","Ni","Sn"],"chemical_system":"Ni-Sn-Zr","density":8.619194972967739,"density_atomic":0.06343135588454353,"volume":63.060294774097514,"volume_molar":9.49394928741769,"formula_full":"Zr1 Ni2 Sn1","formula_reduced":"ZrNi2Sn","formula_anonymous":"ABC2","energy":-26.10544582,"energy_per_atom":-6.526361455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.10544582,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009309,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.787000Z","spacegroup":225}]}