{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10229","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10227","results":[{"id":"mp-754278","created_at":"2022-09-04T14:46:09.922756Z","structure_string":"Fe6 O4 F8\n1.0\n3.299419 4.679887 0.000000\n-3.299419 4.679887 0.000000\n0.000000 3.186545 6.968998\nFe O F\n6 4 8\ndirect\n0.670309 0.642152 0.840786 Fe\n0.314002 0.353136 0.664515 Fe\n0.646864 0.685998 0.335485 Fe\n0.357848 0.329691 0.159214 Fe\n0.019592 0.980408 0.500000 Fe\n0.013418 0.986582 0.000000 Fe\n0.350437 0.990878 0.331570 O\n0.009122 0.649563 0.668430 O\n0.713377 0.286623 0.000000 O\n0.307312 0.692688 0.000000 O\n0.629890 0.040509 0.662655 F\n0.959491 0.370110 0.337345 F\n0.909102 0.907285 0.296192 F\n0.232242 0.223563 0.972821 F\n0.566316 0.568472 0.640220 F\n0.776437 0.767758 0.027179 F\n0.431528 0.433684 0.359780 F\n0.092715 0.090898 0.703808 F\n","nsites":18,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.251779503594642,"density_atomic":0.08363717047170162,"volume":215.21531513419916,"volume_molar":7.200316230255032,"formula_full":"Fe6 O4 F8","formula_reduced":"Fe3(OF2)2","formula_anonymous":"A2B3C4","energy":-125.4762531,"energy_per_atom":-6.970902949999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.4962531,"band_gap":1.2227,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.9994922,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.996000Z","spacegroup":5},{"id":"mp-754279","created_at":"2022-09-04T14:39:22.900321Z","structure_string":"Li4 Cr3 Ni1 O8\n1.0\n1.478467 0.853602 4.845343\n5.885864 -0.020103 0.011862\n2.925522 5.107353 0.011874\nLi Cr Ni O\n4 3 1 8\ndirect\n0.001290 0.501062 0.501016 Li\n0.998717 0.999021 0.998961 Li\n0.000023 0.993633 0.506444 Li\n0.000019 0.506490 0.993586 Li\n0.500017 0.249961 0.250013 Cr\n0.499954 0.249997 0.750038 Cr\n0.500011 0.749991 0.249978 Cr\n0.499987 0.749978 0.749981 Ni\n0.271871 0.619054 0.619010 O\n0.728139 0.880918 0.880871 O\n0.272818 0.122080 0.122158 O\n0.727011 0.377943 0.378019 O\n0.725674 0.363779 0.896378 O\n0.725687 0.896348 0.363776 O\n0.274383 0.136056 0.603725 O\n0.274400 0.603688 0.136049 O\n","nsites":16,"nelements":4,"elements":["Li","Cr","Ni","O"],"chemical_system":"Cr-Li-Ni-O","density":4.218379999073272,"density_atomic":0.10972299502508229,"volume":145.82175774861466,"volume_molar":5.488494693954864,"formula_full":"Li4 Cr3 Ni1 O8","formula_reduced":"Li4Cr3NiO8","formula_anonymous":"AB3C4D8","energy":-116.90584898,"energy_per_atom":-7.30661556125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.87184898,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.637000Z","spacegroup":12},{"id":"mp-754280","created_at":"2022-09-04T14:48:13.957966Z","structure_string":"Li10 Co2 O8\n1.0\n4.403381 -4.720905 0.000000\n4.403381 4.720905 0.000000\n0.000000 0.000000 4.723228\nLi Co O\n10 2 8\ndirect\n0.049312 0.541176 0.526236 Li\n0.719811 0.715547 0.441462 Li\n0.784453 0.780189 0.941462 Li\n0.458824 0.950688 0.473764 Li\n0.017826 0.982174 0.500000 Li\n0.549312 0.041176 0.973764 Li\n0.219811 0.215547 0.058538 Li\n0.284453 0.280189 0.558538 Li\n0.958824 0.450688 0.026236 Li\n0.517826 0.482174 0.000000 Li\n0.243378 0.756622 0.000000 Co\n0.743378 0.256622 0.500000 Co\n0.761992 0.499677 0.724216 O\n0.000323 0.738008 0.224216 O\n0.513693 0.765935 0.160405 O\n0.734065 0.986307 0.660405 O\n0.261992 0.999677 0.775784 O\n0.013693 0.265935 0.339595 O\n0.500323 0.238008 0.275784 O\n0.234065 0.486307 0.839595 O\n","nsites":20,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":2.6659592277966997,"density_atomic":0.10184731035080465,"volume":196.37239246781925,"volume_molar":5.912910944095856,"formula_full":"Li10 Co2 O8","formula_reduced":"Li5CoO4","formula_anonymous":"AB4C5","energy":-111.30431985,"energy_per_atom":-5.5652159925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.53231985,"band_gap":1.0993,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0005228,"is_theoretical":true,"updated_at":"2021-11-28T01:38:38.741000Z","spacegroup":41},{"id":"mp-754281","created_at":"2022-09-04T14:48:10.045246Z","structure_string":"Li4 Cr4 Fe4 O16\n1.0\n5.877716 0.000000 0.000000\n0.000000 5.877716 0.000000\n0.000000 0.000000 8.380306\nLi Cr Fe O\n4 4 4 16\ndirect\n0.500000 0.731525 0.000000 Li\n0.500000 0.268475 0.500000 Li\n0.731525 0.500000 0.250000 Li\n0.268475 0.500000 0.750000 Li\n0.735059 0.000000 0.250000 Cr\n0.000000 0.735059 0.000000 Cr\n0.000000 0.264941 0.500000 Cr\n0.264941 0.000000 0.750000 Cr\n0.755878 0.755878 0.625000 Fe\n0.755878 0.244122 0.875000 Fe\n0.244122 0.755878 0.375000 Fe\n0.244122 0.244122 0.125000 Fe\n0.516331 0.768094 0.256742 O\n0.516331 0.231906 0.243258 O\n0.768094 0.516331 0.993258 O\n0.768094 0.483669 0.506742 O\n0.766494 0.981014 0.012455 O\n0.766494 0.018986 0.487545 O\n0.981014 0.766494 0.237545 O\n0.981014 0.233506 0.262455 O\n0.018986 0.766494 0.762455 O\n0.018986 0.233506 0.737545 O\n0.233506 0.018986 0.512455 O\n0.233506 0.981014 0.987545 O\n0.231906 0.516331 0.006742 O\n0.231906 0.483669 0.493258 O\n0.483669 0.768094 0.743258 O\n0.483669 0.231906 0.756742 O\n","nsites":28,"nelements":4,"elements":["Li","Cr","Fe","O"],"chemical_system":"Cr-Fe-Li-O","density":4.101570871879566,"density_atomic":0.09671213227943318,"volume":289.5190018052625,"volume_molar":6.226872077021375,"formula_full":"Li4 Cr4 Fe4 O16","formula_reduced":"LiCrFeO4","formula_anonymous":"ABCD4","energy":-213.92862964,"energy_per_atom":-7.640308201428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.91662964,"band_gap":0.7231999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.9999598,"is_theoretical":true,"updated_at":"2021-11-28T01:38:32.793000Z","spacegroup":95},{"id":"mp-754282","created_at":"2022-09-04T14:46:57.699634Z","structure_string":"Sr2 O2\n1.0\n1.793131 -3.105793 0.000000\n1.793131 3.105793 0.000000\n0.000000 0.000000 6.259291\nSr O\n2 2\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":4,"nelements":2,"elements":["Sr","O"],"chemical_system":"O-Sr","density":4.9360608211279065,"density_atomic":0.05737468673824783,"volume":69.71715624781739,"volume_molar":10.496163207781743,"formula_full":"Sr2 O2","formula_reduced":"SrO","formula_anonymous":"AB","energy":-25.22274833,"energy_per_atom":-6.3056870825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.84874833,"band_gap":2.9393,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.00018,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.320000Z","spacegroup":194},{"id":"mp-754283","created_at":"2022-09-04T14:45:23.951804Z","structure_string":"Ho4 H4 O8\n1.0\n3.527179 0.000000 0.000000\n0.000000 4.963192 0.000000\n0.000000 0.000000 11.085691\nHo H O\n4 4 8\ndirect\n0.250000 0.068103 0.854871 Ho\n0.250000 0.431897 0.354871 Ho\n0.750000 0.568103 0.645129 Ho\n0.750000 0.931897 0.145129 Ho\n0.250000 0.110070 0.587627 H\n0.250000 0.389930 0.087627 H\n0.750000 0.610070 0.912373 H\n0.750000 0.889930 0.412373 H\n0.250000 0.199244 0.059378 O\n0.750000 0.188458 0.306632 O\n0.750000 0.311542 0.806632 O\n0.250000 0.300756 0.559378 O\n0.750000 0.699244 0.440622 O\n0.250000 0.688458 0.193368 O\n0.250000 0.811542 0.693368 O\n0.750000 0.800756 0.940622 O\n","nsites":16,"nelements":3,"elements":["Ho","H","O"],"chemical_system":"H-Ho-O","density":6.774618735611069,"density_atomic":0.0824458191614686,"volume":194.0668449016717,"volume_molar":7.304361605293471,"formula_full":"Ho4 H4 O8","formula_reduced":"HoHO2","formula_anonymous":"ABC2","energy":-119.45650806,"energy_per_atom":-7.46603175375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.96050806,"band_gap":4.522500000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.849000Z","spacegroup":62},{"id":"mp-754284","created_at":"2022-09-04T14:42:18.554127Z","structure_string":"Li4 Al4 Ni4 O12\n1.0\n-0.044380 -0.072946 5.740875\n2.408240 4.601070 2.870713\n-8.093125 2.195722 -2.679448\nLi Al Ni O\n4 4 4 12\ndirect\n0.942537 0.129308 0.374449 Li\n0.442711 0.629054 0.874412 Li\n0.557464 0.370693 0.125551 Li\n0.057290 0.870946 0.625588 Li\n0.628243 0.787839 0.374982 Al\n0.128137 0.287738 0.874921 Al\n0.871758 0.712161 0.125018 Al\n0.371864 0.212262 0.625079 Al\n0.788059 0.963997 0.873082 Ni\n0.711934 0.536007 0.626917 Ni\n0.287973 0.463885 0.372954 Ni\n0.212029 0.036110 0.127044 Ni\n0.938495 0.786168 0.361922 O\n0.438881 0.285960 0.861971 O\n0.561504 0.713833 0.138078 O\n0.061120 0.214040 0.638030 O\n0.327499 0.099001 0.383085 O\n0.827304 0.598652 0.883176 O\n0.172500 0.401000 0.116915 O\n0.672696 0.901347 0.616825 O\n0.631609 0.485897 0.380754 O\n0.131072 0.986456 0.880837 O\n0.868392 0.014102 0.119246 O\n0.368928 0.513546 0.619163 O\n","nsites":24,"nelements":4,"elements":["Li","Al","Ni","O"],"chemical_system":"Al-Li-Ni-O","density":3.793882213251653,"density_atomic":0.0974893120297819,"volume":246.18083254775937,"volume_molar":6.177231775069152,"formula_full":"Li4 Al4 Ni4 O12","formula_reduced":"LiAlNiO3","formula_anonymous":"ABCD3","energy":-162.23812773999998,"energy_per_atom":-6.759921989166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.83012774,"band_gap":2.4505,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.828000Z","spacegroup":2},{"id":"mp-754285","created_at":"2022-09-04T14:45:05.941647Z","structure_string":"Li10 Mn2 O8\n1.0\n6.751315 0.000001 -0.000002\n0.000001 6.612453 -0.000006\n-0.000001 -0.000004 4.534550\nLi Mn O\n10 2 8\ndirect\n0.051929 0.008986 0.748389 Li\n0.051929 0.491014 0.748389 Li\n0.250000 0.750000 0.195731 Li\n0.448071 0.008986 0.748389 Li\n0.448071 0.491014 0.748389 Li\n0.551929 0.991014 0.251612 Li\n0.551930 0.508986 0.251612 Li\n0.750000 0.250000 0.804268 Li\n0.948071 0.991014 0.251612 Li\n0.948071 0.508986 0.251612 Li\n0.250000 0.250000 0.232882 Mn\n0.749998 0.750002 0.767114 Mn\n0.001421 0.250000 0.029817 O\n0.250000 0.996030 0.425398 O\n0.250000 0.503969 0.425398 O\n0.498580 0.250000 0.029818 O\n0.501420 0.750000 0.970184 O\n0.750000 0.003972 0.574600 O\n0.750000 0.496028 0.574601 O\n0.998581 0.750000 0.970185 O\n","nsites":20,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":2.520577470345397,"density_atomic":0.09879724423280271,"volume":202.43479618594048,"volume_molar":6.095454186768224,"formula_full":"Li10 Mn2 O8","formula_reduced":"Li5MnO4","formula_anonymous":"AB4C5","energy":-117.71474466,"energy_per_atom":-5.8857372329999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.88274466,"band_gap":0.7268000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9990306,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.594000Z","spacegroup":59},{"id":"mp-754286","created_at":"2022-09-04T14:44:46.020137Z","structure_string":"Co6 O2 F10\n1.0\n5.672687 0.000000 0.000000\n1.917014 5.377073 0.000000\n2.379485 1.633588 6.945216\nCo O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.366985 0.303371 0.166958 Co\n0.330105 0.322558 0.673476 Co\n0.669895 0.677442 0.326524 Co\n0.633015 0.696629 0.833042 Co\n0.653640 0.032497 0.158481 O\n0.346360 0.967503 0.841519 O\n0.694223 0.308250 0.497699 F\n0.054693 0.621455 0.165300 F\n0.109855 0.105714 0.204415 F\n0.764294 0.765838 0.537089 F\n0.431121 0.435231 0.869293 F\n0.235706 0.234162 0.462911 F\n0.890145 0.894286 0.795585 F\n0.568879 0.564769 0.130707 F\n0.305777 0.691750 0.502301 F\n0.945307 0.378545 0.834700 F\n","nsites":18,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":4.511654060842883,"density_atomic":0.08496733447822323,"volume":211.84611839992843,"volume_molar":7.087595247022194,"formula_full":"Co6 O2 F10","formula_reduced":"Co3OF5","formula_anonymous":"AB3C5","energy":-109.23835253,"energy_per_atom":-6.068797362777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.41635253,"band_gap":0.6702,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.766000Z","spacegroup":2},{"id":"mp-754287","created_at":"2022-09-04T14:46:57.874525Z","structure_string":"V4 O7 F5\n1.0\n5.239171 0.000000 0.000000\n2.520765 4.692523 0.000000\n2.366310 1.536856 8.583949\nV O F\n4 7 5\ndirect\n0.211459 0.260539 0.268685 V\n0.457445 0.511486 0.496153 V\n0.704602 0.745140 0.760181 V\n0.958047 0.021249 0.020201 V\n0.116683 0.647351 0.586461 O\n0.094578 0.080323 0.151853 O\n0.601281 0.156373 0.084859 O\n0.608946 0.593833 0.656617 O\n0.427668 0.405223 0.341100 O\n0.424712 0.838918 0.902358 O\n0.924412 0.341063 0.408304 O\n0.050795 0.621820 0.113037 F\n0.462693 0.872380 0.377517 F\n0.574325 0.122612 0.624402 F\n0.955552 0.374855 0.874196 F\n0.926800 0.906835 0.834076 F\n","nsites":16,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.23202411231609,"density_atomic":0.07581652422504204,"volume":211.03578888037754,"volume_molar":7.943045162720477,"formula_full":"V4 O7 F5","formula_reduced":"V4O7F5","formula_anonymous":"A4B5C7","energy":-120.93486814,"energy_per_atom":-7.55842925875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.01586814,"band_gap":1.2834,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0013241,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.891000Z","spacegroup":1},{"id":"mp-754288","created_at":"2022-09-04T14:40:15.939847Z","structure_string":"Mg1 Fe11 O18\n1.0\n5.496977 0.000000 0.000000\n-0.698101 7.501601 0.000000\n-2.380916 -3.743204 7.700750\nMg Fe O\n1 11 18\ndirect\n0.714444 0.143106 0.000314 Mg\n0.705201 0.647715 0.001562 Fe\n0.294863 0.855638 0.999744 Fe\n0.626644 0.185545 0.668609 Fe\n0.037345 0.480370 0.667385 Fe\n0.300520 0.348977 0.001062 Fe\n0.958128 0.020011 0.331038 Fe\n0.038491 0.978190 0.667154 Fe\n0.377558 0.315080 0.332753 Fe\n0.625667 0.690359 0.667382 Fe\n0.372731 0.813285 0.333071 Fe\n0.961993 0.516936 0.331116 Fe\n0.395350 0.651375 0.797335 O\n0.594581 0.353773 0.897370 O\n0.933854 0.686485 0.869316 O\n0.065417 0.316158 0.434115 O\n0.729682 0.979389 0.760387 O\n0.034689 0.286819 0.769520 O\n0.631575 0.381368 0.567201 O\n0.291467 0.047332 0.898432 O\n0.266918 0.019108 0.534650 O\n0.731240 0.983525 0.462957 O\n0.698948 0.945817 0.103466 O\n0.369238 0.621730 0.436890 O\n0.965597 0.714073 0.233371 O\n0.933761 0.681800 0.563519 O\n0.265994 0.017667 0.231554 O\n0.394752 0.644852 0.099971 O\n0.078892 0.321245 0.134634 O\n0.604460 0.352273 0.204120 O\n","nsites":30,"nelements":3,"elements":["Mg","Fe","O"],"chemical_system":"Fe-Mg-O","density":4.845353042399986,"density_atomic":0.09447357490237554,"volume":317.54911392948304,"volume_molar":6.374418207655413,"formula_full":"Mg1 Fe11 O18","formula_reduced":"MgFe11O18","formula_anonymous":"AB11C18","energy":-234.46801708,"energy_per_atom":-7.815600569333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.28601708,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":54.0002206,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.923000Z","spacegroup":1},{"id":"mp-754289","created_at":"2022-09-04T14:48:13.335217Z","structure_string":"Mn4 Hg4 O14\n1.0\n0.000189 5.074768 5.074796\n5.074625 0.000321 5.074666\n5.074853 5.074863 0.000093\nMn Hg O\n4 4 14\ndirect\n0.000001 0.999996 0.000002 Mn\n0.499998 0.000005 0.999994 Mn\n0.999997 0.000001 0.500000 Mn\n0.000009 0.499997 0.999998 Mn\n0.499998 0.000000 0.500001 Hg\n0.500001 0.500001 0.000000 Hg\n0.999999 0.499999 0.500002 Hg\n0.500000 0.500002 0.499998 Hg\n0.678880 0.071103 0.071108 O\n0.928910 0.321112 0.321115 O\n0.071091 0.071111 0.678893 O\n0.678878 0.678893 0.071103 O\n0.374968 0.374999 0.375004 O\n0.678868 0.071111 0.678883 O\n0.071087 0.678896 0.071110 O\n0.321126 0.928893 0.321116 O\n0.928905 0.928886 0.321112 O\n0.321129 0.321110 0.928892 O\n0.625031 0.625001 0.624996 O\n0.928916 0.321099 0.928893 O\n0.071089 0.678890 0.678883 O\n0.321116 0.928897 0.928894 O\n","nsites":22,"nelements":3,"elements":["Mn","Hg","O"],"chemical_system":"Hg-Mn-O","density":7.916844665013236,"density_atomic":0.08417274564509346,"volume":261.36726123632644,"volume_molar":7.154501987367499,"formula_full":"Mn4 Hg4 O14","formula_reduced":"Mn2Hg2O7","formula_anonymous":"A2B2C7","energy":-132.81994538,"energy_per_atom":-6.0372702445454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.52994538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0028096,"is_theoretical":true,"updated_at":"2021-11-28T01:38:39.564000Z","spacegroup":227}]}