{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=12149","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=12147","results":[{"id":"mp-1215355","created_at":"2022-09-04T14:45:14.536939Z","structure_string":"Zr4 Cr4 Ni4\n1.0\n2.499937 -4.432013 0.000000\n2.499937 4.432013 0.000000\n0.000000 0.000000 7.971563\nZr Cr Ni\n4 4 4\ndirect\n0.334284 0.665716 0.191517 Zr\n0.665240 0.334760 0.311182 Zr\n0.665240 0.334760 0.688818 Zr\n0.334284 0.665716 0.808483 Zr\n0.006979 0.993021 0.241335 Cr\n0.006979 0.993021 0.758665 Cr\n0.828088 0.670992 0.000000 Cr\n0.329008 0.171912 0.000000 Cr\n0.824041 0.175959 0.000000 Ni\n0.168349 0.329662 0.500000 Ni\n0.670338 0.831651 0.500000 Ni\n0.167120 0.832880 0.500000 Ni\n","nsites":12,"nelements":3,"elements":["Zr","Cr","Ni"],"chemical_system":"Cr-Ni-Zr","density":7.592256594871095,"density_atomic":0.06793251256030793,"volume":176.64590264266837,"volume_molar":8.864887419928376,"formula_full":"Zr4 Cr4 Ni4","formula_reduced":"ZrCrNi","formula_anonymous":"ABC","energy":-98.16705145999998,"energy_per_atom":-8.180587621666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.16705145999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0172422,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.773000Z","spacegroup":38},{"id":"mp-755055","created_at":"2022-09-04T14:47:10.759290Z","structure_string":"Zr4 Cr4 O12\n1.0\n4.953036 0.000014 0.000010\n0.000016 5.382382 0.000023\n0.000019 0.000040 9.349989\nZr Cr O\n4 4 12\ndirect\n0.047097 0.953069 0.749996 Zr\n0.452919 0.453053 0.749996 Zr\n0.547084 0.546952 0.250004 Zr\n0.952910 0.046933 0.250002 Zr\n0.999997 0.499999 0.500001 Cr\n0.499991 0.999994 0.500001 Cr\n0.999987 0.500001 0.999997 Cr\n0.500016 0.000001 0.999994 Cr\n0.184520 0.375541 0.250000 O\n0.315473 0.875544 0.250001 O\n0.684521 0.124465 0.749999 O\n0.815484 0.624455 0.749998 O\n0.210777 0.218149 0.601151 O\n0.210782 0.218159 0.898855 O\n0.289219 0.718150 0.601154 O\n0.289222 0.718152 0.898855 O\n0.710779 0.281842 0.101145 O\n0.710780 0.281846 0.398850 O\n0.789217 0.781847 0.101147 O\n0.789224 0.781846 0.398853 O\n","nsites":20,"nelements":3,"elements":["Zr","Cr","O"],"chemical_system":"Cr-O-Zr","density":5.095437039969209,"density_atomic":0.08023666955259133,"volume":249.26258918175745,"volume_molar":7.505471991272983,"formula_full":"Zr4 Cr4 O12","formula_reduced":"ZrCrO3","formula_anonymous":"ABC3","energy":-192.00054543,"energy_per_atom":-9.6000272715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.76054543,"band_gap":1.3886000000000005,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.721000Z","spacegroup":62},{"id":"mp-1650178","created_at":"2022-09-04T14:42:51.690342Z","structure_string":"Zr4 Cr4 O16\n1.0\n4.790043 0.026123 0.001925\n0.065343 11.769997 -0.052883\n0.001808 -0.023127 4.934494\nZr Cr O\n4 4 16\ndirect\n0.988569 0.165416 0.254909 Zr\n0.997860 0.834170 0.733532 Zr\n0.501142 0.665637 0.270485 Zr\n0.515722 0.334561 0.758170 Zr\n0.007858 0.570343 0.765803 Cr\n0.490202 0.069758 0.752004 Cr\n0.009923 0.429797 0.260433 Cr\n0.502417 0.930264 0.236335 Cr\n0.219888 0.314741 0.408501 O\n0.217461 0.684402 0.912374 O\n0.282736 0.185521 0.905307 O\n0.276489 0.811762 0.409565 O\n0.719280 0.188390 0.582507 O\n0.715214 0.814607 0.089478 O\n0.778398 0.689119 0.592309 O\n0.782562 0.310814 0.085446 O\n0.277255 0.053271 0.425460 O\n0.266297 0.948221 0.935341 O\n0.226922 0.445756 0.935159 O\n0.226031 0.553149 0.437790 O\n0.775965 0.450605 0.564082 O\n0.775193 0.551134 0.065342 O\n0.728521 0.050987 0.054517 O\n0.718099 0.947572 0.565148 O\n","nsites":24,"nelements":3,"elements":["Zr","Cr","O"],"chemical_system":"Cr-O-Zr","density":4.9476607748721015,"density_atomic":0.08627306343803784,"volume":278.1864818934711,"volume_molar":6.980325631215311,"formula_full":"Zr4 Cr4 O16","formula_reduced":"ZrCrO4","formula_anonymous":"ABC4","energy":-220.81512384,"energy_per_atom":-9.200630160000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-201.82712384,"band_gap":1.27,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9939168,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.772000Z","spacegroup":1},{"id":"mp-756487","created_at":"2022-09-04T14:47:08.215526Z","structure_string":"Zr4 Cr4 O16\n1.0\n4.760265 0.000214 -0.000130\n0.000531 11.853724 -0.000422\n-0.000137 -0.000176 4.938795\nZr Cr O\n4 4 16\ndirect\n0.999930 0.171330 0.250018 Zr\n0.999989 0.828665 0.749896 Zr\n0.499984 0.671337 0.250110 Zr\n0.500057 0.328664 0.750081 Zr\n0.000029 0.433499 0.250024 Cr\n0.000018 0.566502 0.749989 Cr\n0.500003 0.066493 0.750037 Cr\n0.499974 0.933520 0.250013 Cr\n0.221444 0.315688 0.410093 O\n0.221460 0.684311 0.910109 O\n0.276187 0.054814 0.431873 O\n0.276156 0.945187 0.931962 O\n0.223866 0.445137 0.931956 O\n0.223840 0.554861 0.431945 O\n0.278547 0.184279 0.910091 O\n0.278506 0.815683 0.410166 O\n0.721489 0.184300 0.589844 O\n0.721433 0.815728 0.089913 O\n0.776176 0.445174 0.568009 O\n0.776232 0.554834 0.068028 O\n0.723850 0.054816 0.068054 O\n0.723840 0.945180 0.568126 O\n0.778498 0.684358 0.589844 O\n0.778496 0.315637 0.089818 O\n","nsites":24,"nelements":3,"elements":["Zr","Cr","O"],"chemical_system":"Cr-O-Zr","density":4.938885962374531,"density_atomic":0.08612005578660294,"volume":278.680729834519,"volume_molar":6.992727425679188,"formula_full":"Zr4 Cr4 O16","formula_reduced":"ZrCrO4","formula_anonymous":"ABC4","energy":-220.65556758,"energy_per_atom":-9.1939819825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-201.66756758,"band_gap":0.2399999999999997,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0014686,"is_theoretical":true,"updated_at":"2021-11-28T01:37:57.563000Z","spacegroup":60},{"id":"mp-1102645","created_at":"2022-09-04T14:39:32.251608Z","structure_string":"Zr4 Cr4 P4\n1.0\n3.660103 0.000000 0.000000\n0.000000 6.441337 0.000000\n0.000000 0.000000 7.604353\nZr Cr P\n4 4 4\ndirect\n0.250000 0.535080 0.172344 Zr\n0.750000 0.464920 0.827656 Zr\n0.750000 0.964920 0.672344 Zr\n0.250000 0.035080 0.327656 Zr\n0.250000 0.631119 0.553710 Cr\n0.750000 0.368881 0.446290 Cr\n0.750000 0.868881 0.053710 Cr\n0.250000 0.131119 0.946290 Cr\n0.250000 0.766515 0.864768 P\n0.750000 0.233485 0.135232 P\n0.750000 0.733485 0.364768 P\n0.250000 0.266515 0.635232 P\n","nsites":12,"nelements":3,"elements":["Zr","Cr","P"],"chemical_system":"Cr-P-Zr","density":6.453723269074661,"density_atomic":0.06693444221223929,"volume":179.27989841089226,"volume_molar":8.99707319724078,"formula_full":"Zr4 Cr4 P4","formula_reduced":"ZrCrP","formula_anonymous":"ABC","energy":-105.24781376,"energy_per_atom":-8.770651146666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.24781376,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8642306,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.265000Z","spacegroup":62},{"id":"mp-1102132","created_at":"2022-09-04T14:42:08.382092Z","structure_string":"Zr4 Cr4 Si4\n1.0\n0.000000 -3.519870 0.000000\n-6.740658 0.000000 0.000000\n0.000000 0.000000 -7.888290\nZr Cr Si\n4 4 4\ndirect\n0.750000 0.459451 0.170675 Zr\n0.750000 0.959451 0.329325 Zr\n0.250000 0.540549 0.829325 Zr\n0.250000 0.040549 0.670675 Zr\n0.750000 0.377625 0.558245 Cr\n0.750000 0.877625 0.941755 Cr\n0.250000 0.622375 0.441755 Cr\n0.250000 0.122375 0.058245 Cr\n0.750000 0.238917 0.867436 Si\n0.750000 0.738917 0.632564 Si\n0.250000 0.761083 0.132564 Si\n0.250000 0.261083 0.367436 Si\n","nsites":12,"nelements":3,"elements":["Zr","Cr","Si"],"chemical_system":"Cr-Si-Zr","density":6.079514014492253,"density_atomic":0.06411644889656365,"volume":187.15946073930405,"volume_molar":9.392505142814857,"formula_full":"Zr4 Cr4 Si4","formula_reduced":"ZrCrSi","formula_anonymous":"ABC","energy":-101.37521949,"energy_per_atom":-8.447934957500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.65921949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025966,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.182000Z","spacegroup":62},{"id":"mp-1215757","created_at":"2022-09-04T14:40:32.676095Z","structure_string":"Zr4 Cr6 Fe2\n1.0\n2.543946 -4.342275 0.000000\n2.543946 4.342275 0.000000\n0.000000 0.000000 8.141993\nZr Cr Fe\n4 6 2\ndirect\n0.665930 0.334070 0.686245 Zr\n0.333185 0.666815 0.808241 Zr\n0.333185 0.666815 0.191759 Zr\n0.665930 0.334070 0.313755 Zr\n0.170319 0.829681 0.500000 Cr\n0.337608 0.167909 0.000000 Cr\n0.832091 0.662392 0.000000 Cr\n0.832102 0.167898 0.000000 Cr\n0.999784 0.000216 0.252936 Cr\n0.999784 0.000216 0.747064 Cr\n0.662761 0.832731 0.500000 Fe\n0.167269 0.337239 0.500000 Fe\n","nsites":12,"nelements":3,"elements":["Zr","Cr","Fe"],"chemical_system":"Cr-Fe-Zr","density":7.279462950934087,"density_atomic":0.0667106716390752,"volume":179.88126494848694,"volume_molar":9.027252480055354,"formula_full":"Zr4 Cr6 Fe2","formula_reduced":"Zr2Cr3Fe","formula_anonymous":"AB2C3","energy":-109.84614839,"energy_per_atom":-9.153845699166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.84614839,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3835753,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.481000Z","spacegroup":38},{"id":"mp-1215601","created_at":"2022-09-04T14:46:14.265890Z","structure_string":"Zr4 Cr6 Si2\n1.0\n2.497376 -4.325583 0.000000\n2.497376 4.325583 0.000000\n0.000000 0.000000 8.408307\nZr Cr Si\n4 6 2\ndirect\n0.333333 0.666667 0.436322 Zr\n0.666667 0.333333 0.563678 Zr\n0.666667 0.333333 0.936322 Zr\n0.333333 0.666667 0.063678 Zr\n0.828443 0.171557 0.250000 Cr\n0.828443 0.656885 0.250000 Cr\n0.343115 0.171557 0.250000 Cr\n0.171557 0.828443 0.750000 Cr\n0.171557 0.343115 0.750000 Cr\n0.656885 0.828443 0.750000 Cr\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n","nsites":12,"nelements":3,"elements":["Zr","Cr","Si"],"chemical_system":"Cr-Si-Zr","density":6.700570247280206,"density_atomic":0.06605627913319337,"volume":181.66327497502027,"volume_molar":9.116681773517978,"formula_full":"Zr4 Cr6 Si2","formula_reduced":"Zr2Cr3Si","formula_anonymous":"AB2C3","energy":-106.51966755,"energy_per_atom":-8.8766389625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.66166755,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0855948,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.566000Z","spacegroup":194},{"id":"mp-1919","created_at":"2022-09-04T14:39:24.511249Z","structure_string":"Zr4 Cr8\n1.0\n2.549586 -4.416013 0.000000\n2.549586 4.416013 0.000000\n0.000000 0.000000 8.107787\nZr Cr\n4 8\ndirect\n0.333333 0.666667 0.060056 Zr\n0.666667 0.333333 0.560056 Zr\n0.666667 0.333333 0.939944 Zr\n0.333333 0.666667 0.439944 Zr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.832560 0.665120 0.250000 Cr\n0.167440 0.832560 0.750000 Cr\n0.665120 0.832560 0.750000 Cr\n0.334880 0.167440 0.250000 Cr\n0.832560 0.167440 0.250000 Cr\n0.167440 0.334880 0.750000 Cr\n","nsites":12,"nelements":2,"elements":["Zr","Cr"],"chemical_system":"Cr-Zr","density":7.102195259330821,"density_atomic":0.06572777193410503,"volume":182.57122745664535,"volume_molar":9.162246920582458,"formula_full":"Zr4 Cr8","formula_reduced":"ZrCr2","formula_anonymous":"AB2","energy":-111.56323689,"energy_per_atom":-9.2969364075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.56323689,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1357493,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.999000Z","spacegroup":194},{"id":"mp-31125","created_at":"2022-09-04T14:42:02.206312Z","structure_string":"Zr4 Cr8 Si10\n1.0\n-2.479766 3.803536 8.061232\n2.479766 -3.803536 8.061232\n2.479766 3.803536 -8.061232\nZr Cr Si\n4 8 10\ndirect\n0.019396 0.141242 0.878154 Zr\n0.980604 0.858758 0.121846 Zr\n0.736912 0.358758 0.378154 Zr\n0.263088 0.641242 0.621846 Zr\n0.308934 0.058934 0.750000 Cr\n0.691066 0.441066 0.750000 Cr\n0.191456 0.438586 0.752869 Cr\n0.808544 0.561414 0.247131 Cr\n0.314283 0.061414 0.252869 Cr\n0.685717 0.938586 0.747131 Cr\n0.691066 0.941066 0.250000 Cr\n0.308934 0.558934 0.250000 Cr\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.998327 0.289118 0.709209 Si\n0.001673 0.710882 0.290791 Si\n0.636646 0.063974 0.572671 Si\n0.363354 0.936026 0.427329 Si\n0.508697 0.436026 0.072671 Si\n0.491303 0.563974 0.927329 Si\n0.579908 0.789118 0.790791 Si\n0.420092 0.210882 0.209209 Si\n","nsites":22,"nelements":3,"elements":["Zr","Cr","Si"],"chemical_system":"Cr-Si-Zr","density":5.796947540708705,"density_atomic":0.0723374236566043,"volume":304.13026740400693,"volume_molar":8.325069453106225,"formula_full":"Zr4 Cr8 Si10","formula_reduced":"Zr2Cr4Si5","formula_anonymous":"A2B4C5","energy":-176.89292036,"energy_per_atom":-8.04058728909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.60292035999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0098737,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.990000Z","spacegroup":72},{"id":"mp-1215371","created_at":"2022-09-04T14:39:26.651518Z","structure_string":"Zr4 Cu1 Ni1\n1.0\n-3.295117 3.295117 2.603843\n3.295117 -3.295117 2.603843\n3.295117 3.295117 -2.603843\nZr Cu Ni\n4 1 1\ndirect\n0.411189 0.911189 0.822378 Zr\n0.088811 0.588811 0.177622 Zr\n0.588811 0.411189 0.500000 Zr\n0.911189 0.088811 0.500000 Zr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n","nsites":6,"nelements":3,"elements":["Zr","Cu","Ni"],"chemical_system":"Cu-Ni-Zr","density":7.152902787805489,"density_atomic":0.05305603425123339,"volume":113.08798489514919,"volume_molar":11.350529388389036,"formula_full":"Zr4 Cu1 Ni1","formula_reduced":"Zr4CuNi","formula_anonymous":"ABC4","energy":-45.34924567,"energy_per_atom":-7.558207611666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.34924567,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011281,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.986000Z","spacegroup":97},{"id":"mp-1215370","created_at":"2022-09-04T14:40:42.823900Z","structure_string":"Zr4 Cu1 S8\n1.0\n0.000000 5.249966 5.249966\n5.249966 0.000000 5.249966\n5.249966 5.249966 0.000000\nZr Cu S\n4 1 8\ndirect\n0.617606 0.127465 0.127465 Zr\n0.127465 0.617606 0.127465 Zr\n0.127465 0.127465 0.617606 Zr\n0.127465 0.127465 0.127465 Zr\n0.750000 0.750000 0.750000 Cu\n0.367283 0.877572 0.877572 S\n0.877572 0.367283 0.877572 S\n0.877572 0.877572 0.367283 S\n0.877572 0.877572 0.877572 S\n0.886410 0.371197 0.371197 S\n0.371197 0.886410 0.371197 S\n0.371197 0.371197 0.886410 S\n0.371197 0.371197 0.371197 S\n","nsites":13,"nelements":3,"elements":["Zr","Cu","S"],"chemical_system":"Cu-S-Zr","density":3.930213181641799,"density_atomic":0.044920427857725986,"volume":289.40062728641385,"volume_molar":13.406240873469855,"formula_full":"Zr4 Cu1 S8","formula_reduced":"Zr4CuS8","formula_anonymous":"AB4C8","energy":-93.67634115,"energy_per_atom":-7.205872396153846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.65234115,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.011698,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.845000Z","spacegroup":216}]}