{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=27","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=25","results":[{"id":"mp-1184407","created_at":"2022-09-04T14:41:25.898209Z","structure_string":"Eu6 Ho2\n1.0\n3.821019 -6.618198 0.000000\n3.821019 6.618198 0.000000\n0.000000 0.000000 6.120320\nEu Ho\n6 2\ndirect\n0.170062 0.340123 0.250000 Eu\n0.659877 0.829938 0.250000 Eu\n0.170062 0.829938 0.250000 Eu\n0.829938 0.659877 0.750000 Eu\n0.340123 0.170062 0.750000 Eu\n0.829938 0.170062 0.750000 Eu\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n","nsites":8,"nelements":2,"elements":["Eu","Ho"],"chemical_system":"Eu-Ho","density":6.66075311993803,"density_atomic":0.02584442703009636,"volume":309.5444906046413,"volume_molar":23.301506173795588,"formula_full":"Eu6 Ho2","formula_reduced":"Eu3Ho","formula_anonymous":"AB3","energy":-70.04505884,"energy_per_atom":-8.755632355,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.04505884,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":44.6023603,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.336000Z","spacegroup":194},{"id":"mp-759749","created_at":"2022-09-04T14:41:25.169161Z","structure_string":"K4 Fe4 O8\n1.0\n-1.882098 -6.156657 -0.000380\n6.710425 -0.368626 -0.029661\n0.915208 -1.962433 6.544025\nK Fe O\n4 4 8\ndirect\n0.742208 0.656856 0.688235 K\n0.242211 0.656853 0.688233 K\n0.257790 0.343148 0.311766 K\n0.757793 0.343144 0.311765 K\n0.921885 0.866587 0.179103 Fe\n0.578115 0.133412 0.820893 Fe\n0.421885 0.866583 0.179109 Fe\n0.078112 0.133409 0.820887 Fe\n0.017161 0.165915 0.097204 O\n0.517158 0.165916 0.097206 O\n0.982844 0.834087 0.902802 O\n0.482839 0.834084 0.902794 O\n0.890497 0.242952 0.680842 O\n0.390498 0.242953 0.680842 O\n0.109504 0.757050 0.319158 O\n0.609501 0.757053 0.319160 O\n","nsites":16,"nelements":3,"elements":["K","Fe","O"],"chemical_system":"Fe-K-O","density":3.064062479835657,"density_atomic":0.05814372239747626,"volume":275.1801800824242,"volume_molar":10.35733611761567,"formula_full":"K4 Fe4 O8","formula_reduced":"KFeO2","formula_anonymous":"ABC2","energy":-104.90246533,"energy_per_atom":-6.556404083125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.38246533,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.945000Z","spacegroup":12},{"id":"mp-759318","created_at":"2022-09-04T14:41:25.062602Z","structure_string":"V4 H40 C8 O40\n1.0\n8.929013 0.000000 0.000000\n0.000000 7.229427 0.000000\n0.000000 1.268702 14.073781\nV H C O\n4 40 8 40\ndirect\n0.231710 0.688178 0.988886 V\n0.268290 0.688178 0.488886 V\n0.731710 0.311822 0.511114 V\n0.768290 0.311822 0.011114 V\n0.748605 0.961863 0.954153 H\n0.047296 0.010294 0.743536 H\n0.692999 0.949796 0.565010 H\n0.751395 0.961863 0.454153 H\n0.898958 0.895566 0.754515 H\n0.452704 0.010294 0.243536 H\n0.402164 0.835159 0.848373 H\n0.807001 0.949796 0.065010 H\n0.601042 0.895566 0.254515 H\n0.027385 0.799592 0.620391 H\n0.532564 0.763567 0.640655 H\n0.097836 0.835159 0.348373 H\n0.693645 0.735206 0.685836 H\n0.472615 0.799592 0.120391 H\n0.957231 0.687966 0.538831 H\n0.363671 0.619981 0.828703 H\n0.967436 0.763567 0.140655 H\n0.806355 0.735206 0.185836 H\n0.542769 0.687966 0.038831 H\n0.136329 0.619981 0.328703 H\n0.863671 0.380019 0.671297 H\n0.457231 0.312034 0.961169 H\n0.193645 0.264794 0.814164 H\n0.032564 0.236433 0.859345 H\n0.636329 0.380019 0.171297 H\n0.042769 0.312034 0.461169 H\n0.527385 0.200408 0.879609 H\n0.306355 0.264794 0.314164 H\n0.902164 0.164841 0.651627 H\n0.467436 0.236433 0.359345 H\n0.972615 0.200408 0.379609 H\n0.398958 0.104434 0.745485 H\n0.192999 0.050204 0.934990 H\n0.597836 0.164841 0.151627 H\n0.547296 0.989706 0.756464 H\n0.101042 0.104434 0.245485 H\n0.248605 0.038137 0.545847 H\n0.307001 0.050204 0.434990 H\n0.952704 0.989706 0.256464 H\n0.251395 0.038137 0.045847 H\n0.755587 0.653510 0.895951 C\n0.744413 0.653510 0.395951 C\n0.811232 0.506226 0.830863 C\n0.311232 0.493774 0.669137 C\n0.688768 0.506226 0.330863 C\n0.188768 0.493774 0.169137 C\n0.255587 0.346490 0.604049 C\n0.244413 0.346490 0.104049 C\n0.242388 0.969173 0.987860 O\n0.966759 0.957340 0.706414 O\n0.257612 0.969173 0.487860 O\n0.533241 0.957340 0.206414 O\n0.749717 0.819661 0.864667 O\n0.623405 0.830832 0.657775 O\n0.750283 0.819661 0.364667 O\n0.381214 0.707230 0.878914 O\n0.075607 0.675747 0.929630 O\n0.876595 0.830832 0.157775 O\n0.051165 0.714831 0.571078 O\n0.118786 0.707230 0.378914 O\n0.343814 0.653833 0.626043 O\n0.719216 0.587699 0.981045 O\n0.424393 0.675747 0.429630 O\n0.448835 0.714831 0.071078 O\n0.821780 0.547499 0.743318 O\n0.156186 0.653833 0.126043 O\n0.780784 0.587699 0.481045 O\n0.321780 0.452501 0.756682 O\n0.678220 0.547499 0.243318 O\n0.219216 0.412301 0.518955 O\n0.843814 0.346167 0.873957 O\n0.178220 0.452501 0.256682 O\n0.551165 0.285169 0.928922 O\n0.575607 0.324253 0.570370 O\n0.280784 0.412301 0.018955 O\n0.656186 0.346167 0.373957 O\n0.881214 0.292770 0.621086 O\n0.948835 0.285169 0.428922 O\n0.123405 0.169168 0.842225 O\n0.924393 0.324253 0.070370 O\n0.618786 0.292770 0.121086 O\n0.249717 0.180339 0.635333 O\n0.376595 0.169168 0.342225 O\n0.250283 0.180339 0.135333 O\n0.466759 0.042660 0.793586 O\n0.742388 0.030827 0.512140 O\n0.033241 0.042660 0.293586 O\n0.757612 0.030827 0.012140 O\n","nsites":92,"nelements":4,"elements":["V","H","C","O"],"chemical_system":"C-H-O-V","density":1.7915188996411746,"density_atomic":0.10126741091261184,"volume":908.4857524341261,"volume_molar":5.946770738709586,"formula_full":"V4 H40 C8 O40","formula_reduced":"VH10(CO5)2","formula_anonymous":"AB2C10D10","energy":-578.79012057,"energy_per_atom":-6.291196962717391,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-544.51012057,"band_gap":2.5926,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0002014,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.147000Z","spacegroup":14},{"id":"mp-1233668","created_at":"2022-09-04T14:41:24.369593Z","structure_string":"Sr4 Tb2 Mg1 Ru2 O12\n1.0\n5.814850 -0.103290 -0.122176\n-0.106271 6.134016 0.138888\n-0.141762 0.194483 8.365800\nSr Tb Mg Ru O\n4 2 1 2 12\ndirect\n0.987295 0.445310 0.735019 Sr\n0.507546 0.924219 0.742909 Sr\n0.451950 0.120757 0.305074 Sr\n0.065320 0.563495 0.243527 Sr\n0.516868 0.424358 0.976405 Tb\n0.984105 0.001612 0.504438 Tb\n0.635161 0.805109 0.130557 Mg\n0.022054 0.991214 0.996889 Ru\n0.495336 0.516648 0.503162 Ru\n0.723094 0.147769 0.954639 O\n0.765996 0.707571 0.550185 O\n0.312904 0.821569 0.052871 O\n0.207792 0.316393 0.465336 O\n0.814898 0.692935 0.959642 O\n0.690197 0.234915 0.543535 O\n0.190896 0.269907 0.053109 O\n0.297282 0.791843 0.465030 O\n0.414463 0.512584 0.733895 O\n0.087730 0.021839 0.768480 O\n0.576389 0.514033 0.251348 O\n0.898558 0.957170 0.235824 O\n","nsites":21,"nelements":5,"elements":["Sr","Tb","Mg","Ru","O"],"chemical_system":"Mg-O-Ru-Sr-Tb","density":6.054883411491143,"density_atomic":0.07045939997725202,"volume":298.04398003360654,"volume_molar":8.546965716347659,"formula_full":"Sr4 Tb2 Mg1 Ru2 O12","formula_reduced":"Sr4Tb2Mg(RuO6)2","formula_anonymous":"AB2C2D4E12","energy":-152.84724165,"energy_per_atom":-7.278440078571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.60324165,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9923514,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.199000Z","spacegroup":1},{"id":"mp-561743","created_at":"2022-09-04T14:41:25.422618Z","structure_string":"Li8 Co4 Si4 O16\n1.0\n-0.000009 -0.000005 5.013534\n6.318219 -0.000090 -0.000011\n-0.000148 10.789289 -0.000012\nLi Co Si O\n8 4 4 16\ndirect\n0.257419 0.501804 0.662067 Li\n0.757420 0.498196 0.337932 Li\n0.757429 0.001803 0.837929 Li\n0.257429 0.998199 0.162071 Li\n0.256726 0.757365 0.922073 Li\n0.756727 0.242635 0.077927 Li\n0.756724 0.257358 0.577928 Li\n0.256724 0.742642 0.422071 Li\n0.760363 0.508488 0.835744 Co\n0.260361 0.491516 0.164253 Co\n0.260377 0.008500 0.664253 Co\n0.760380 0.991498 0.335746 Co\n0.263793 0.252140 0.913088 Si\n0.763786 0.747867 0.086914 Si\n0.763826 0.752178 0.586919 Si\n0.263836 0.247816 0.413080 Si\n0.593609 0.254057 0.909686 O\n0.093604 0.745943 0.090319 O\n0.093649 0.754067 0.590304 O\n0.593665 0.245931 0.409700 O\n0.157521 0.246531 0.058314 O\n0.657518 0.753478 0.941684 O\n0.657547 0.746552 0.441691 O\n0.157548 0.253443 0.558310 O\n0.157701 0.469159 0.841552 O\n0.657690 0.530848 0.158445 O\n0.657708 0.969172 0.658476 O\n0.157709 0.030818 0.341523 O\n0.155565 0.036648 0.841444 O\n0.655554 0.963358 0.158556 O\n0.655636 0.536631 0.658551 O\n0.155654 0.463362 0.341449 O\n","nsites":32,"nelements":4,"elements":["Li","Co","Si","O"],"chemical_system":"Co-Li-O-Si","density":3.204747284109712,"density_atomic":0.09363075222484682,"volume":341.76805418752315,"volume_molar":6.431797904964287,"formula_full":"Li8 Co4 Si4 O16","formula_reduced":"Li2CoSiO4","formula_anonymous":"ABC2D4","energy":-225.02662839,"energy_per_atom":-7.0320821371875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.48262839,"band_gap":0.4331,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.549000Z","spacegroup":33},{"id":"mp-1214143","created_at":"2022-09-04T14:41:25.068013Z","structure_string":"Ca12 Mn8 O48\n1.0\n-6.410692 6.410692 6.410692\n6.410692 -6.410692 6.410692\n6.410692 6.410692 -6.410692\nCa Mn O\n12 8 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.456192 0.381958 0.307444 O\n0.543808 0.618042 0.692556 O\n0.574514 0.148748 0.192556 O\n0.925486 0.118042 0.574235 O\n0.307444 0.456192 0.381958 O\n0.351252 0.925486 0.307444 O\n0.425486 0.851252 0.807444 O\n0.074514 0.881958 0.425765 O\n0.692556 0.543808 0.618042 O\n0.648748 0.074514 0.692556 O\n0.043808 0.351252 0.925765 O\n0.192556 0.574514 0.148748 O\n0.118042 0.043808 0.192556 O\n0.956192 0.648748 0.074235 O\n0.807444 0.425486 0.851252 O\n0.881958 0.956192 0.807444 O\n0.574235 0.925486 0.118042 O\n0.148748 0.456192 0.574235 O\n0.425765 0.074514 0.881958 O\n0.851252 0.543808 0.425765 O\n0.925765 0.043808 0.351252 O\n0.381958 0.574514 0.925765 O\n0.074235 0.956192 0.648748 O\n0.618042 0.425486 0.074235 O\n0.381958 0.307444 0.456192 O\n0.574514 0.925765 0.381958 O\n0.618042 0.692556 0.543808 O\n0.425486 0.074235 0.618042 O\n0.118042 0.574235 0.925486 O\n0.043808 0.192556 0.118042 O\n0.881958 0.425765 0.074514 O\n0.956192 0.807444 0.881958 O\n0.351252 0.925765 0.043808 O\n0.925486 0.307444 0.351252 O\n0.648748 0.074235 0.956192 O\n0.074514 0.692556 0.648748 O\n0.148748 0.192556 0.574514 O\n0.456192 0.574235 0.148748 O\n0.851252 0.807444 0.425486 O\n0.543808 0.425765 0.851252 O\n0.307444 0.351252 0.925486 O\n0.692556 0.648748 0.074514 O\n0.192556 0.118042 0.043808 O\n0.807444 0.881958 0.956192 O\n0.925765 0.381958 0.574514 O\n0.074235 0.618042 0.425486 O\n0.574235 0.148748 0.456192 O\n0.425765 0.851252 0.543808 O\n","nsites":68,"nelements":3,"elements":["Ca","Mn","O"],"chemical_system":"Ca-Mn-O","density":2.66043521422289,"density_atomic":0.06452591711078093,"volume":1053.8401164179443,"volume_molar":9.332902234711247,"formula_full":"Ca12 Mn8 O48","formula_reduced":"Ca3Mn2O12","formula_anonymous":"A2B3C12","energy":-435.67286883,"energy_per_atom":-6.406953953382353,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.35286883,"band_gap":0.0803999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.206000Z","spacegroup":230},{"id":"mp-1221839","created_at":"2022-09-04T14:41:25.070552Z","structure_string":"Mn6 In4 Sb6 O28\n1.0\n-0.013217 -5.067069 -5.024929\n5.336543 -10.423630 5.320781\n-5.064823 -0.014620 5.026384\nMn In Sb O\n6 4 6 28\ndirect\n0.500071 0.500279 0.500114 Mn\n0.500159 0.999727 0.000004 Mn\n0.498978 0.250003 0.749151 Mn\n0.499913 0.749959 0.249665 Mn\n0.000201 0.250019 0.250316 Mn\n0.000187 0.749991 0.750036 Mn\n0.500516 0.499541 0.000257 In\n0.499778 0.000125 0.499943 In\n0.000180 0.499659 0.500026 In\n0.999818 0.000375 0.999938 In\n0.000068 0.499998 0.999881 Sb\n0.999942 0.000045 0.500158 Sb\n0.000043 0.749984 0.250022 Sb\n0.999915 0.250018 0.750159 Sb\n0.499941 0.749972 0.749996 Sb\n0.500060 0.250028 0.250073 Sb\n0.373574 0.440114 0.687278 O\n0.373299 0.940364 0.187218 O\n0.626626 0.559664 0.312730 O\n0.626415 0.059868 0.812609 O\n0.093159 0.571546 0.832704 O\n0.093036 0.071634 0.332816 O\n0.907100 0.428332 0.167320 O\n0.906703 0.928458 0.667267 O\n0.668280 0.283005 0.548395 O\n0.667933 0.783638 0.047696 O\n0.332097 0.716427 0.452212 O\n0.331674 0.217077 0.951580 O\n0.074474 0.793766 0.035168 O\n0.074246 0.293811 0.535046 O\n0.671231 0.793704 0.631918 O\n0.671770 0.293869 0.132566 O\n0.926272 0.206145 0.965379 O\n0.925613 0.706224 0.464865 O\n0.328428 0.206258 0.367853 O\n0.328674 0.706305 0.868061 O\n0.667923 0.588027 0.820362 O\n0.667718 0.088089 0.320079 O\n0.091924 0.588207 0.243298 O\n0.092221 0.088387 0.743858 O\n0.332139 0.411947 0.179631 O\n0.332054 0.911956 0.679559 O\n0.907669 0.411666 0.756219 O\n0.907981 0.911792 0.256574 O\n","nsites":44,"nelements":4,"elements":["Mn","In","Sb","O"],"chemical_system":"In-Mn-O-Sb","density":6.0630902391159935,"density_atomic":0.08165736250703512,"volume":538.8368990758086,"volume_molar":7.37489012026462,"formula_full":"Mn6 In4 Sb6 O28","formula_reduced":"Mn3In2Sb3O14","formula_anonymous":"A2B3C3D14","energy":-315.60807394000005,"energy_per_atom":-7.172910771363638,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.36407394,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9884081,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.029000Z","spacegroup":12},{"id":"mp-1034122","created_at":"2022-09-04T14:41:24.205763Z","structure_string":"Rb1 Mg14 Ti1 O16\n1.0\n8.688777 0.000000 0.000000\n0.000000 8.688777 -0.000000\n0.000000 0.000000 4.442996\nRb Mg Ti O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Rb\n-0.000000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.000000 Mg\n-0.000000 0.254344 0.500000 Mg\n-0.000000 0.745656 0.500000 Mg\n0.500000 0.246644 0.500000 Mg\n0.500000 0.753356 0.500000 Mg\n0.254344 -0.000000 0.500000 Mg\n0.246644 0.500000 0.500000 Mg\n0.745656 -0.000000 0.500000 Mg\n0.753356 0.500000 0.500000 Mg\n0.252179 0.252179 0.000000 Mg\n0.252179 0.747821 -0.000000 Mg\n0.747821 0.252179 0.000000 Mg\n0.747821 0.747821 -0.000000 Mg\n-0.000000 -0.000000 0.000000 Ti\n0.238081 -0.000000 0.000000 O\n0.218728 0.500000 0.000000 O\n0.761919 -0.000000 0.000000 O\n0.781272 0.500000 0.000000 O\n0.248474 0.248474 0.500000 O\n0.248474 0.751526 0.500000 O\n0.751526 0.248474 0.500000 O\n0.751526 0.751526 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.238081 -0.000000 O\n-0.000000 0.761919 0.000000 O\n0.500000 0.218728 -0.000000 O\n0.500000 0.781272 0.000000 O\n","nsites":32,"nelements":4,"elements":["Rb","Mg","Ti","O"],"chemical_system":"Mg-O-Rb-Ti","density":3.611917659456384,"density_atomic":0.09540184065374525,"volume":335.42329771332095,"volume_molar":6.31239472816564,"formula_full":"Rb1 Mg14 Ti1 O16","formula_reduced":"RbMg14TiO16","formula_anonymous":"ABC14D16","energy":-199.86063332,"energy_per_atom":-6.24564479125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.86863332,"band_gap":3.6388,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.0203716,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.913000Z","spacegroup":123},{"id":"mp-568343","created_at":"2022-09-04T14:41:25.463493Z","structure_string":"K4 Pr24 Os4 I40\n1.0\n13.860018 0.000000 0.000000\n0.000000 14.334863 0.000000\n0.000000 0.000000 15.828941\nK Pr Os I\n4 24 4 40\ndirect\n0.750000 0.485427 0.441032 K\n0.250000 0.985427 0.058968 K\n0.250000 0.514573 0.558968 K\n0.750000 0.014573 0.941032 K\n0.106446 0.380702 0.058073 Pr\n0.893554 0.880702 0.441927 Pr\n0.250000 0.612588 0.984950 Pr\n0.106446 0.119298 0.558073 Pr\n0.750000 0.387412 0.015050 Pr\n0.392201 0.615698 0.203154 Pr\n0.893554 0.619298 0.941927 Pr\n0.607799 0.384302 0.796846 Pr\n0.892201 0.115698 0.296846 Pr\n0.750000 0.611585 0.723957 Pr\n0.107799 0.884302 0.703154 Pr\n0.750000 0.112588 0.515050 Pr\n0.606446 0.619298 0.941927 Pr\n0.250000 0.111585 0.776043 Pr\n0.392201 0.884302 0.703154 Pr\n0.393554 0.380702 0.058073 Pr\n0.107799 0.615698 0.203154 Pr\n0.393554 0.119298 0.558073 Pr\n0.892201 0.384302 0.796846 Pr\n0.250000 0.388415 0.276043 Pr\n0.750000 0.888415 0.223957 Pr\n0.250000 0.887412 0.484950 Pr\n0.606446 0.880702 0.441927 Pr\n0.607799 0.115698 0.296846 Pr\n0.750000 0.501176 0.871168 Os\n0.250000 0.001176 0.628832 Os\n0.250000 0.498824 0.128832 Os\n0.750000 0.998824 0.371168 Os\n0.417099 0.497100 0.877068 I\n0.910776 0.763784 0.787488 I\n0.076751 0.750786 0.038345 I\n0.250000 0.231999 0.967958 I\n0.423249 0.750786 0.038345 I\n0.250000 0.774853 0.280787 I\n0.082901 0.497100 0.877068 I\n0.750000 0.225147 0.719213 I\n0.750000 0.274853 0.219213 I\n0.250000 0.268001 0.467958 I\n0.910776 0.736216 0.287488 I\n0.410776 0.236216 0.212512 I\n0.914413 0.496957 0.621662 I\n0.417099 0.002900 0.377068 I\n0.582901 0.997100 0.622932 I\n0.082901 0.002900 0.377068 I\n0.585587 0.003043 0.121662 I\n0.089224 0.236216 0.212512 I\n0.576751 0.249214 0.961655 I\n0.750000 0.731999 0.532042 I\n0.914413 0.003043 0.121662 I\n0.414413 0.503043 0.378338 I\n0.410776 0.263784 0.712512 I\n0.917099 0.502900 0.122932 I\n0.414413 0.996957 0.878338 I\n0.585587 0.496957 0.621662 I\n0.750000 0.768001 0.032042 I\n0.589224 0.763784 0.787488 I\n0.589224 0.736216 0.287488 I\n0.076751 0.749214 0.538345 I\n0.923249 0.249214 0.961655 I\n0.423249 0.749214 0.538345 I\n0.917099 0.997100 0.622932 I\n0.085587 0.996957 0.878338 I\n0.089224 0.263784 0.712512 I\n0.250000 0.725147 0.780787 I\n0.923249 0.250786 0.461655 I\n0.085587 0.503043 0.378338 I\n0.582901 0.502900 0.122932 I\n0.576751 0.250786 0.461655 I\n","nsites":72,"nelements":4,"elements":["K","Pr","Os","I"],"chemical_system":"I-K-Os-Pr","density":4.950213605240145,"density_atomic":0.022894085221185568,"volume":3144.9170955899626,"volume_molar":26.304351983573792,"formula_full":"K4 Pr24 Os4 I40","formula_reduced":"KPr6OsI10","formula_anonymous":"ABC6D10","energy":-329.0933970100001,"energy_per_atom":-4.57074162513889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.93339701,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.7206747,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.872000Z","spacegroup":62},{"id":"mp-1038485","created_at":"2022-09-04T14:41:25.088901Z","structure_string":"Hf1 Mg30 B1 O31\n1.0\n8.516808 0.000000 0.000000\n0.000000 8.605053 0.000000\n0.000000 0.000000 8.664753\nHf Mg B O\n1 30 1 31\ndirect\n0.991432 0.000000 0.500000 Hf\n0.992132 0.500000 0.000000 Mg\n0.997042 0.500000 0.500000 Mg\n0.491959 0.000000 0.000000 Mg\n0.501087 0.000000 0.500000 Mg\n0.499418 0.500000 0.000000 Mg\n0.498865 0.500000 0.500000 Mg\n0.997941 0.248114 0.233901 Mg\n0.997941 0.248114 0.766099 Mg\n0.997941 0.751886 0.233901 Mg\n0.997941 0.751886 0.766099 Mg\n0.497013 0.250153 0.247232 Mg\n0.497013 0.250153 0.752768 Mg\n0.497013 0.749847 0.247232 Mg\n0.497013 0.749847 0.752768 Mg\n0.250450 0.000000 0.255467 Mg\n0.250450 0.000000 0.744533 Mg\n0.246628 0.500000 0.251219 Mg\n0.246628 0.500000 0.748781 Mg\n0.746018 0.000000 0.234037 Mg\n0.746018 0.000000 0.765963 Mg\n0.748345 0.500000 0.246677 Mg\n0.748345 0.500000 0.753323 Mg\n0.243352 0.261599 0.000000 Mg\n0.252102 0.258626 0.500000 Mg\n0.243352 0.738401 0.000000 Mg\n0.252102 0.741374 0.500000 Mg\n0.749896 0.244951 0.000000 Mg\n0.742198 0.256675 0.500000 Mg\n0.749896 0.755049 0.000000 Mg\n0.742198 0.743325 0.500000 Mg\n0.215788 0.000000 0.000000 B\n0.243208 0.000000 0.500000 O\n0.250048 0.500000 0.000000 O\n0.247502 0.500000 0.500000 O\n0.727245 0.000000 0.000000 O\n0.748603 0.000000 0.500000 O\n0.742797 0.500000 0.000000 O\n0.748156 0.500000 0.500000 O\n0.246547 0.253137 0.256426 O\n0.246547 0.253137 0.743574 O\n0.246547 0.746863 0.256426 O\n0.246547 0.746863 0.743574 O\n0.747699 0.248379 0.251100 O\n0.747699 0.248379 0.748900 O\n0.747699 0.751621 0.251100 O\n0.747699 0.751621 0.748900 O\n0.993695 0.000000 0.266179 O\n0.993695 0.000000 0.733821 O\n0.996842 0.500000 0.255926 O\n0.996842 0.500000 0.744074 O\n0.497137 0.000000 0.257332 O\n0.497137 0.000000 0.742668 O\n0.497993 0.500000 0.252529 O\n0.497993 0.500000 0.747471 O\n0.993970 0.270677 0.000000 O\n0.996302 0.244797 0.500000 O\n0.993970 0.729323 0.000000 O\n0.996302 0.755203 0.500000 O\n0.496142 0.254095 0.000000 O\n0.497888 0.249522 0.500000 O\n0.496142 0.745905 0.000000 O\n0.497888 0.750478 0.500000 O\n","nsites":63,"nelements":4,"elements":["Hf","Mg","B","O"],"chemical_system":"B-Hf-Mg-O","density":3.698662465703683,"density_atomic":0.09920965879976294,"volume":635.0188153267849,"volume_molar":6.0701153827719745,"formula_full":"Hf1 Mg30 B1 O31","formula_reduced":"HfMg30BO31","formula_anonymous":"ABC30D31","energy":-400.41635575,"energy_per_atom":-6.35581517063492,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-379.11935575,"band_gap":0.8494999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.009813,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.796000Z","spacegroup":25},{"id":"mp-32554","created_at":"2022-09-04T14:41:25.091586Z","structure_string":"Ta2 I5\n1.0\n6.477347 0.000000 0.000000\n1.964815 6.189323 0.000000\n0.545215 0.573292 9.022682\nTa I\n2 5\ndirect\n0.690925 0.571025 0.950335 Ta\n0.340654 0.923467 0.950767 Ta\n0.002726 0.228888 0.135738 I\n0.514169 0.260053 0.852697 I\n0.512242 0.733297 0.213550 I\n0.532558 0.772524 0.673973 I\n0.018326 0.760745 0.859639 I\n","nsites":7,"nelements":2,"elements":["Ta","I"],"chemical_system":"I-Ta","density":4.574195765820895,"density_atomic":0.019351831674920304,"volume":361.72286518344924,"volume_molar":31.119228717789067,"formula_full":"Ta2 I5","formula_reduced":"Ta2I5","formula_anonymous":"A2B5","energy":-33.47412052,"energy_per_atom":-4.782017217142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.57912052,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9900626,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.801000Z","spacegroup":1},{"id":"mp-763365","created_at":"2022-09-04T14:41:26.258474Z","structure_string":"Mn6 O10 F2\n1.0\n4.543812 0.000000 0.000000\n0.123911 5.440115 0.000000\n0.162921 0.483488 7.547094\nMn O F\n6 10 2\ndirect\n0.482824 0.321453 0.659169 Mn\n0.517176 0.678547 0.340831 Mn\n0.500000 0.000000 0.000000 Mn\n0.987427 0.155876 0.331092 Mn\n0.000000 0.500000 0.000000 Mn\n0.012573 0.844124 0.668908 Mn\n0.805896 0.202381 0.103929 O\n0.807542 0.871105 0.439125 O\n0.694238 0.036946 0.767331 O\n0.698114 0.372488 0.435917 O\n0.689750 0.702510 0.104590 O\n0.305762 0.963054 0.232669 O\n0.310250 0.297490 0.895410 O\n0.301886 0.627512 0.564083 O\n0.194104 0.797619 0.896071 O\n0.192458 0.128895 0.560875 O\n0.792582 0.538203 0.753617 F\n0.207418 0.461797 0.246383 F\n","nsites":18,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.6963601359109965,"density_atomic":0.09648600198752862,"volume":186.55555862213677,"volume_molar":6.241465742127441,"formula_full":"Mn6 O10 F2","formula_reduced":"Mn3O5F","formula_anonymous":"AB3C5","energy":-143.22668976,"energy_per_atom":-7.95703832,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.42468976,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9994851,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.970000Z","spacegroup":2}]}