{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=12123","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=12121","results":[{"id":"mp-1181967","created_at":"2022-09-04T14:48:00.602839Z","structure_string":"Ca1 Cu3 Ni1 Se4\n1.0\n5.874384 0.000000 0.000000\n0.000000 5.874384 0.000000\n0.000000 0.000000 5.874384\nCa Cu Ni Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n0.228836 0.228836 0.228836 Se\n0.771164 0.771164 0.228836 Se\n0.228836 0.771164 0.771164 Se\n0.771164 0.228836 0.771164 Se\n","nsites":9,"nelements":4,"elements":["Ca","Cu","Ni","Se"],"chemical_system":"Ca-Cu-Ni-Se","density":4.957885218865089,"density_atomic":0.04439719296412727,"volume":202.71551868767827,"volume_molar":13.564237641928989,"formula_full":"Ca1 Cu3 Ni1 Se4","formula_reduced":"CaCu3NiSe4","formula_anonymous":"ABC3D4","energy":-39.53845449,"energy_per_atom":-4.39316161,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.65045449,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.7353576,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.997000Z","spacegroup":215},{"id":"mp-1185631","created_at":"2022-09-04T14:48:00.694078Z","structure_string":"Mg149 Sc1\n1.0\n13.807908 -7.972003 0.000000\n0.000000 15.944007 0.000000\n0.000000 0.000000 15.587415\nMg Sc\n149 1\ndirect\n0.600711 0.999991 0.000000 Mg\n0.399281 0.999991 0.000000 Mg\n0.599852 0.199702 0.000000 Mg\n0.001495 0.200645 0.000000 Mg\n0.199151 0.200645 0.000000 Mg\n0.799677 0.200323 0.000000 Mg\n0.400645 0.200323 0.000000 Mg\n0.000009 0.399290 0.000000 Mg\n0.399281 0.399290 0.000000 Mg\n0.800298 0.400149 0.000000 Mg\n0.599852 0.400149 0.000000 Mg\n0.200647 0.401296 0.000000 Mg\n0.799677 0.599355 0.000000 Mg\n0.399942 0.600057 0.000000 Mg\n0.200116 0.600057 0.000000 Mg\n0.600711 0.600720 0.000000 Mg\n0.000009 0.600720 0.000000 Mg\n0.200647 0.799352 0.000000 Mg\n0.598704 0.799352 0.000000 Mg\n0.399942 0.799884 0.000000 Mg\n0.001495 0.800849 0.000000 Mg\n0.799355 0.800849 0.000000 Mg\n0.799355 0.998505 0.000000 Mg\n0.199151 0.998506 0.000000 Mg\n0.265311 0.132656 0.165445 Mg\n0.867344 0.132656 0.165445 Mg\n0.867344 0.734689 0.165445 Mg\n0.066627 0.133253 0.166551 Mg\n0.866746 0.933374 0.166551 Mg\n0.066627 0.933374 0.166551 Mg\n0.666667 0.333333 0.166197 Mg\n0.667103 0.133074 0.166531 Mg\n0.465971 0.133074 0.166531 Mg\n0.465971 0.332897 0.166531 Mg\n0.866926 0.332897 0.166531 Mg\n0.667103 0.534029 0.166531 Mg\n0.866926 0.534029 0.166531 Mg\n0.466698 0.533302 0.166777 Mg\n0.066605 0.533302 0.166777 Mg\n0.466698 0.933396 0.166777 Mg\n0.266916 0.334357 0.167038 Mg\n0.067441 0.334357 0.167038 Mg\n0.665643 0.733084 0.167038 Mg\n0.067441 0.733084 0.167038 Mg\n0.665643 0.932559 0.167038 Mg\n0.266916 0.932559 0.167038 Mg\n0.266899 0.533797 0.167028 Mg\n0.266899 0.733101 0.167028 Mg\n0.466203 0.733101 0.167028 Mg\n0.199898 0.999868 0.332821 Mg\n0.799970 0.999869 0.332821 Mg\n0.000132 0.200030 0.332821 Mg\n0.199898 0.200030 0.332821 Mg\n0.799970 0.800102 0.332821 Mg\n0.000132 0.800102 0.332821 Mg\n0.599948 0.199897 0.332951 Mg\n0.800103 0.400051 0.332951 Mg\n0.599948 0.400051 0.332951 Mg\n0.399694 0.199848 0.333170 Mg\n0.800152 0.199848 0.333170 Mg\n0.800152 0.600306 0.333170 Mg\n0.600011 0.000082 0.333420 Mg\n0.400072 0.000083 0.333420 Mg\n0.999917 0.399989 0.333420 Mg\n0.400072 0.399989 0.333420 Mg\n0.999917 0.599928 0.333420 Mg\n0.600011 0.599929 0.333420 Mg\n0.400068 0.599932 0.333583 Mg\n0.199864 0.599932 0.333583 Mg\n0.400068 0.800135 0.333583 Mg\n0.200142 0.400285 0.333833 Mg\n0.200142 0.799858 0.333833 Mg\n0.599714 0.799858 0.333833 Mg\n0.000000 0.000000 0.334159 Mg\n0.266583 0.133292 0.500000 Mg\n0.866708 0.133292 0.500000 Mg\n0.066699 0.133397 0.500000 Mg\n0.667006 0.133914 0.500000 Mg\n0.466908 0.133914 0.500000 Mg\n0.466908 0.332993 0.500000 Mg\n0.866086 0.332993 0.500000 Mg\n0.066493 0.333089 0.500000 Mg\n0.266596 0.333089 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866086 0.533093 0.500000 Mg\n0.667006 0.533093 0.500000 Mg\n0.466994 0.533006 0.500000 Mg\n0.066011 0.533006 0.500000 Mg\n0.266622 0.533246 0.500000 Mg\n0.066493 0.733404 0.500000 Mg\n0.666911 0.733404 0.500000 Mg\n0.266622 0.733378 0.500000 Mg\n0.466755 0.733378 0.500000 Mg\n0.866708 0.733417 0.500000 Mg\n0.066699 0.933301 0.500000 Mg\n0.866603 0.933301 0.500000 Mg\n0.266596 0.933507 0.500000 Mg\n0.666911 0.933507 0.500000 Mg\n0.466994 0.933989 0.500000 Mg\n0.000000 0.000000 0.665841 Mg\n0.200142 0.400285 0.666168 Mg\n0.200142 0.799858 0.666168 Mg\n0.599714 0.799858 0.666168 Mg\n0.400068 0.599932 0.666417 Mg\n0.199864 0.599932 0.666417 Mg\n0.400068 0.800135 0.666417 Mg\n0.600011 0.000082 0.666580 Mg\n0.400072 0.000083 0.666580 Mg\n0.999917 0.399989 0.666580 Mg\n0.400072 0.399989 0.666580 Mg\n0.999917 0.599928 0.666580 Mg\n0.600011 0.599929 0.666580 Mg\n0.399694 0.199848 0.666830 Mg\n0.800152 0.199848 0.666830 Mg\n0.800152 0.600306 0.666830 Mg\n0.599948 0.199897 0.667048 Mg\n0.800103 0.400051 0.667048 Mg\n0.599948 0.400051 0.667048 Mg\n0.199898 0.999868 0.667179 Mg\n0.799970 0.999869 0.667179 Mg\n0.000132 0.200030 0.667179 Mg\n0.199898 0.200030 0.667179 Mg\n0.799970 0.800102 0.667179 Mg\n0.000132 0.800102 0.667179 Mg\n0.266899 0.533797 0.832972 Mg\n0.266899 0.733101 0.832972 Mg\n0.466203 0.733101 0.832972 Mg\n0.266916 0.334357 0.832962 Mg\n0.067441 0.334357 0.832962 Mg\n0.665643 0.733084 0.832962 Mg\n0.067441 0.733084 0.832962 Mg\n0.665643 0.932559 0.832962 Mg\n0.266916 0.932559 0.832962 Mg\n0.466698 0.533302 0.833223 Mg\n0.066605 0.533302 0.833223 Mg\n0.466698 0.933396 0.833223 Mg\n0.667103 0.133074 0.833469 Mg\n0.465971 0.133074 0.833469 Mg\n0.465971 0.332897 0.833469 Mg\n0.866926 0.332897 0.833469 Mg\n0.667103 0.534029 0.833469 Mg\n0.866926 0.534029 0.833469 Mg\n0.666667 0.333333 0.833803 Mg\n0.066627 0.133253 0.833448 Mg\n0.866746 0.933374 0.833448 Mg\n0.066627 0.933374 0.833448 Mg\n0.265311 0.132656 0.834555 Mg\n0.867344 0.132656 0.834555 Mg\n0.867344 0.734689 0.834555 Mg\n0.000000 0.000000 0.000000 Sc\n","nsites":150,"nelements":2,"elements":["Mg","Sc"],"chemical_system":"Mg-Sc","density":1.7741469558290213,"density_atomic":0.043711106438133376,"volume":3431.6221258847077,"volume_molar":13.777140984805431,"formula_full":"Mg149 Sc1","formula_reduced":"Mg149Sc","formula_anonymous":"AB149","energy":-248.70402499,"energy_per_atom":-1.6580268332666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-248.70402499,"band_gap":0.2763999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008567,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.103000Z","spacegroup":187},{"id":"mp-1019805","created_at":"2022-09-04T14:48:00.757274Z","structure_string":"K4 B4 S16 O56\n1.0\n7.553454 5.891694 0.000000\n-7.553454 5.891694 0.000000\n0.000000 1.028777 14.064162\nK B S O\n4 4 16 56\ndirect\n0.851194 0.911716 0.672102 K\n0.911716 0.851194 0.172102 K\n0.281550 0.311704 0.751040 K\n0.311704 0.281550 0.251040 K\n0.386926 0.820599 0.456247 B\n0.820599 0.386926 0.956247 B\n0.794790 0.323235 0.444724 B\n0.323235 0.794790 0.944724 B\n0.692262 0.259937 0.802494 S\n0.259937 0.692262 0.302494 S\n0.925049 0.519979 0.791211 S\n0.519979 0.925049 0.291211 S\n0.421742 0.738980 0.634502 S\n0.738980 0.421742 0.134502 S\n0.270300 0.955613 0.593292 S\n0.955613 0.270300 0.093292 S\n0.929412 0.119662 0.402667 S\n0.119662 0.929412 0.902667 S\n0.024682 0.311681 0.548320 S\n0.311681 0.024682 0.048320 S\n0.597801 0.775649 0.928881 S\n0.775649 0.597801 0.428881 S\n0.367784 0.529473 0.988442 S\n0.529473 0.367784 0.488442 S\n0.718387 0.143308 0.750869 O\n0.143308 0.718387 0.250869 O\n0.549915 0.280402 0.815056 O\n0.280402 0.549915 0.315056 O\n0.045187 0.455402 0.788162 O\n0.455402 0.045187 0.288162 O\n0.934482 0.656493 0.743883 O\n0.656493 0.934482 0.243883 O\n0.554968 0.842259 0.645356 O\n0.842259 0.554968 0.145356 O\n0.382449 0.607292 0.691350 O\n0.607292 0.382449 0.191350 O\n0.120868 0.922969 0.574410 O\n0.922969 0.120868 0.074410 O\n0.334760 0.081047 0.641629 O\n0.081047 0.334760 0.141629 O\n0.998185 0.085182 0.317877 O\n0.085182 0.998185 0.817877 O\n0.855196 0.009404 0.471471 O\n0.009404 0.855196 0.971471 O\n0.118042 0.452544 0.537357 O\n0.452544 0.118042 0.037357 O\n0.031751 0.217803 0.629166 O\n0.217803 0.031751 0.129166 O\n0.703766 0.802718 0.851701 O\n0.802718 0.703766 0.351701 O\n0.804913 0.635402 0.523998 O\n0.635402 0.804913 0.023998 O\n0.396282 0.528531 0.086929 O\n0.528531 0.396282 0.586929 O\n0.310198 0.398096 0.944262 O\n0.398096 0.310198 0.444262 O\n0.767449 0.261601 0.897879 O\n0.261601 0.767449 0.397879 O\n0.862504 0.521359 0.895227 O\n0.521359 0.862504 0.395227 O\n0.399215 0.707492 0.528182 O\n0.707492 0.399215 0.028182 O\n0.367332 0.950713 0.503329 O\n0.950713 0.367332 0.003329 O\n0.836616 0.226203 0.375557 O\n0.226203 0.836616 0.875557 O\n0.864075 0.308694 0.536218 O\n0.308694 0.864075 0.036218 O\n0.840577 0.470578 0.399612 O\n0.470578 0.840577 0.899612 O\n0.276042 0.637792 0.962915 O\n0.637792 0.276042 0.462915 O\n0.788316 0.410978 0.744729 O\n0.410978 0.788316 0.244729 O\n0.287512 0.813434 0.658303 O\n0.813434 0.287512 0.158303 O\n0.062912 0.230137 0.451936 O\n0.230137 0.062912 0.951936 O\n0.519652 0.600958 0.924538 O\n0.600958 0.519652 0.424538 O\n","nsites":80,"nelements":4,"elements":["K","B","S","O"],"chemical_system":"B-K-O-S","density":2.1339257581119178,"density_atomic":0.06390875538214005,"volume":1251.7846658355797,"volume_molar":9.423029323589281,"formula_full":"K4 B4 S16 O56","formula_reduced":"KB(S2O7)2","formula_anonymous":"ABC4D14","energy":-529.13590787,"energy_per_atom":-6.614198848375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-490.66390787,"band_gap":5.3496,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010401,"is_theoretical":false,"updated_at":"2021-11-28T01:38:23.157000Z","spacegroup":9},{"id":"mp-1213736","created_at":"2022-09-04T14:48:00.792355Z","structure_string":"Cs8 La4 Br20\n1.0\n9.191221 0.000000 0.000000\n0.000000 9.696495 0.000000\n0.000000 0.000000 14.897837\nCs La Br\n8 4 20\ndirect\n0.945819 0.006028 0.827751 Cs\n0.054181 0.993972 0.172249 Cs\n0.445819 0.993972 0.672249 Cs\n0.054181 0.506028 0.172249 Cs\n0.554181 0.006028 0.327751 Cs\n0.945819 0.493972 0.827751 Cs\n0.554181 0.493972 0.327751 Cs\n0.445819 0.506028 0.672249 Cs\n0.931811 0.750000 0.503525 La\n0.068189 0.250000 0.496475 La\n0.431811 0.250000 0.996475 La\n0.568189 0.750000 0.003525 La\n0.114010 0.750000 0.668766 Br\n0.885990 0.250000 0.331234 Br\n0.614010 0.250000 0.831234 Br\n0.385990 0.750000 0.168766 Br\n0.842717 0.041501 0.570868 Br\n0.157283 0.958499 0.429132 Br\n0.342717 0.958499 0.929132 Br\n0.157283 0.541501 0.429132 Br\n0.657283 0.041501 0.070868 Br\n0.842717 0.458499 0.570868 Br\n0.657283 0.458499 0.070868 Br\n0.342717 0.541501 0.929132 Br\n0.602618 0.750000 0.511899 Br\n0.397382 0.250000 0.488101 Br\n0.102618 0.250000 0.988101 Br\n0.897382 0.750000 0.011899 Br\n0.651922 0.750000 0.808146 Br\n0.348078 0.250000 0.191854 Br\n0.151922 0.250000 0.691854 Br\n0.848078 0.750000 0.308146 Br\n","nsites":32,"nelements":3,"elements":["Cs","La","Br"],"chemical_system":"Br-Cs-La","density":4.023292386064302,"density_atomic":0.024101205929204846,"volume":1327.7343919635043,"volume_molar":24.98688562592886,"formula_full":"Cs8 La4 Br20","formula_reduced":"Cs2LaBr5","formula_anonymous":"AB2C5","energy":-132.92899376,"energy_per_atom":-4.154031055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.24899376,"band_gap":3.3266,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003844,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.429000Z","spacegroup":62},{"id":"mp-1229320","created_at":"2022-09-04T14:48:01.440313Z","structure_string":"Bi26 Mo10 O69\n1.0\n5.939714 0.000000 0.000000\n-0.135277 11.963932 0.000000\n-0.009879 -5.626917 24.688700\nBi Mo O\n26 10 69\ndirect\n0.905180 0.343087 0.753718 Bi\n0.910503 0.655530 0.744724 Bi\n0.095130 0.656372 0.246202 Bi\n0.091822 0.341169 0.253671 Bi\n0.496446 0.137701 0.675974 Bi\n0.514476 0.858608 0.823163 Bi\n0.502373 0.861825 0.324339 Bi\n0.498972 0.140043 0.177185 Bi\n0.009240 0.579464 0.592914 Bi\n0.007070 0.417958 0.906813 Bi\n0.990826 0.419977 0.406564 Bi\n0.992707 0.580341 0.093719 Bi\n0.503741 0.233711 0.840250 Bi\n0.500189 0.765123 0.659431 Bi\n0.506921 0.767581 0.161273 Bi\n0.497296 0.232854 0.340660 Bi\n0.014026 0.254327 0.599477 Bi\n0.014681 0.740981 0.899258 Bi\n0.984277 0.746125 0.400528 Bi\n0.987971 0.255958 0.099131 Bi\n0.408602 0.458956 0.674286 Bi\n0.406051 0.540034 0.825241 Bi\n0.592252 0.539303 0.325454 Bi\n0.592654 0.457957 0.174609 Bi\n0.433462 0.995247 0.512098 Bi\n0.576815 0.994279 0.997014 Bi\n0.993417 0.922884 0.579849 Mo\n0.015955 0.089056 0.926713 Mo\n0.995947 0.077370 0.424526 Mo\n0.006204 0.924814 0.077256 Mo\n0.994224 0.998809 0.748343 Mo\n0.009960 0.000650 0.250146 Mo\n0.504394 0.333150 0.511204 Mo\n0.506703 0.673977 0.988800 Mo\n0.496287 0.668548 0.489294 Mo\n0.490200 0.333017 0.011407 Mo\n0.066407 0.436524 0.633052 O\n0.064919 0.560006 0.865444 O\n0.933952 0.563034 0.366865 O\n0.933924 0.439198 0.133644 O\n0.718297 0.991243 0.576438 O\n0.766550 0.982043 0.922008 O\n0.277378 0.018578 0.427227 O\n0.286215 0.981706 0.074152 O\n0.766726 0.256625 0.663007 O\n0.770404 0.734786 0.835415 O\n0.230270 0.742728 0.337205 O\n0.234129 0.258581 0.163646 O\n0.021599 0.797057 0.607235 O\n0.946075 0.209930 0.898070 O\n0.992249 0.197123 0.392128 O\n0.997346 0.804627 0.108651 O\n0.812493 0.012472 0.805690 O\n0.825567 0.985528 0.688067 O\n0.184817 0.989165 0.191476 O\n0.192930 0.012620 0.307439 O\n0.251872 0.361810 0.840290 O\n0.255116 0.633920 0.660604 O\n0.746179 0.635590 0.160101 O\n0.744894 0.363894 0.339744 O\n0.405188 0.206611 0.533644 O\n0.423590 0.805599 0.967750 O\n0.590108 0.800515 0.471008 O\n0.571554 0.202517 0.031549 O\n0.269134 0.272096 0.665736 O\n0.272474 0.725262 0.833471 O\n0.727013 0.726244 0.334845 O\n0.729902 0.274510 0.166338 O\n0.747126 0.372451 0.844301 O\n0.749685 0.629304 0.654702 O\n0.250680 0.632489 0.155864 O\n0.249400 0.368711 0.344798 O\n0.555646 0.305154 0.439525 O\n0.557373 0.697582 0.060309 O\n0.450177 0.691626 0.561202 O\n0.430359 0.308689 0.940045 O\n0.229696 0.040140 0.593286 O\n0.205267 0.948899 0.892273 O\n0.811983 0.959962 0.392802 O\n0.815016 0.039358 0.105581 O\n0.748263 0.389651 0.551397 O\n0.745003 0.614994 0.948384 O\n0.252521 0.613716 0.448662 O\n0.253416 0.391470 0.053048 O\n0.221744 0.499372 0.749465 O\n0.778560 0.499318 0.250191 O\n0.128070 0.879501 0.509728 O\n0.033537 0.137537 0.000731 O\n0.898779 0.127423 0.491798 O\n0.888684 0.873055 0.009870 O\n0.712161 0.498668 0.748915 O\n0.287597 0.499789 0.250039 O\n0.173678 0.124483 0.755406 O\n0.172626 0.875320 0.743640 O\n0.828747 0.875413 0.243990 O\n0.831659 0.124940 0.256549 O\n0.281945 0.433390 0.525769 O\n0.276685 0.576660 0.973383 O\n0.719830 0.569518 0.472546 O\n0.721405 0.430685 0.026649 O\n0.592663 0.237066 0.756386 O\n0.599040 0.761151 0.742795 O\n0.410399 0.761628 0.244154 O\n0.405683 0.237897 0.256839 O\n0.348653 0.041061 0.925606 O\n","nsites":105,"nelements":3,"elements":["Bi","Mo","O"],"chemical_system":"Bi-Mo-O","density":7.0956170484028105,"density_atomic":0.05984827077652161,"volume":1754.4366551888972,"volume_molar":10.062347135286785,"formula_full":"Bi26 Mo10 O69","formula_reduced":"Bi26Mo10O69","formula_anonymous":"A10B26C69","energy":-723.55803201,"energy_per_atom":-6.891028876285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-659.45303201,"band_gap":1.5536000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2913683,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.112000Z","spacegroup":1},{"id":"mp-1324352","created_at":"2022-09-04T14:48:00.465817Z","structure_string":"Li13 Mn6 P8 O32\n1.0\n7.982742 0.000000 0.000000\n-2.116371 7.784305 0.000000\n-2.777777 -3.970873 10.440218\nLi Mn P O\n13 6 8 32\ndirect\n0.001581 0.994982 0.486117 Li\n0.811964 0.533000 0.711550 Li\n0.713561 0.262450 0.631408 Li\n0.788406 0.238916 0.380847 Li\n0.604826 0.632429 0.861219 Li\n0.756414 0.270731 0.985826 Li\n0.497865 0.495899 0.513160 Li\n0.271919 0.057212 0.721958 Li\n0.260657 0.778427 0.980137 Li\n0.417356 0.382802 0.109062 Li\n0.223681 0.771859 0.633776 Li\n0.273288 0.738090 0.380455 Li\n0.006733 0.001981 0.992011 Li\n0.750435 0.517849 0.210629 Mn\n0.716150 0.952022 0.280702 Mn\n0.175026 0.426166 0.297823 Mn\n0.239577 0.997563 0.204826 Mn\n0.765209 0.004309 0.787942 Mn\n0.245932 0.482084 0.791021 Mn\n0.972288 0.721529 0.900065 P\n0.866860 0.625979 0.409261 P\n0.468854 0.220408 0.902491 P\n0.619730 0.877581 0.604340 P\n0.383812 0.118790 0.400249 P\n0.525684 0.774677 0.095800 P\n0.127413 0.382938 0.597248 P\n0.024380 0.275083 0.097965 P\n0.956378 0.224460 0.610643 O\n0.970761 0.917451 0.839739 O\n0.810153 0.569473 0.897176 O\n0.933459 0.504415 0.333714 O\n0.665446 0.225667 0.823999 O\n0.750167 0.510440 0.550809 O\n0.739457 0.806453 0.679907 O\n0.831052 0.276120 0.176984 O\n0.968859 0.704691 0.038952 O\n0.557481 0.015056 0.663412 O\n0.531679 0.793020 0.955858 O\n0.730320 0.686461 0.346177 O\n0.750058 0.981569 0.460981 O\n0.462048 0.413103 0.842380 O\n0.306896 0.063628 0.906039 O\n0.549588 0.279166 0.391148 O\n0.448623 0.978912 0.342174 O\n0.453188 0.716259 0.614708 O\n0.688705 0.927032 0.096734 O\n0.243629 0.013078 0.538463 O\n0.529017 0.580539 0.159960 O\n0.256980 0.315491 0.662746 O\n0.469400 0.201315 0.041671 O\n0.023913 0.291663 0.960282 O\n0.166008 0.720649 0.824030 O\n0.276632 0.191430 0.313165 O\n0.250663 0.493340 0.453400 O\n0.332116 0.777577 0.172686 O\n0.065993 0.516657 0.662083 O\n0.191830 0.424530 0.097017 O\n0.024164 0.075675 0.156366 O\n0.036740 0.789496 0.393094 O\n","nsites":59,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.0193551488645136,"density_atomic":0.09094325775730108,"volume":648.7561745088616,"volume_molar":6.6218661047652345,"formula_full":"Li13 Mn6 P8 O32","formula_reduced":"Li13Mn6(PO4)8","formula_anonymous":"A6B8C13D32","energy":-308.50941707,"energy_per_atom":-5.228973170677966,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.62141707,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.6739619,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.204000Z","spacegroup":1},{"id":"mp-1031886","created_at":"2022-09-04T14:48:00.577726Z","structure_string":"Sr1 Ca1 Mg6 O8\n1.0\n9.038175 0.000000 -0.000000\n-0.000000 4.539070 0.000000\n0.000000 0.000000 4.539070\nSr Ca Mg O\n1 1 6 8\ndirect\n0.500000 0.000000 0.000000 Sr\n-0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.245676 0.000000 0.500000 Mg\n0.754324 -0.000000 0.500000 Mg\n0.245676 0.500000 -0.000000 Mg\n0.754324 0.500000 0.000000 Mg\n0.241760 -0.000000 0.000000 O\n0.758240 0.000000 -0.000000 O\n0.249359 0.500000 0.500000 O\n0.750641 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Sr","Ca","Mg","O"],"chemical_system":"Ca-Mg-O-Sr","density":3.580512833005756,"density_atomic":0.0859222173196409,"volume":186.21493368214755,"volume_molar":7.008828389049735,"formula_full":"Sr1 Ca1 Mg6 O8","formula_reduced":"SrCaMg6O8","formula_anonymous":"ABC6D8","energy":-98.3727405,"energy_per_atom":-6.14829628125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.8767405,"band_gap":6.317,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.748000Z","spacegroup":123},{"id":"mp-760462","created_at":"2022-09-04T14:48:00.660904Z","structure_string":"Li5 Ti1 Si2 O8\n1.0\n3.822846 3.718025 0.000000\n-3.822846 3.718025 0.000000\n0.000000 0.225017 6.243680\nLi Ti Si O\n5 1 2 8\ndirect\n0.808536 0.831626 0.267428 Li\n0.698837 0.301163 0.000000 Li\n0.326974 0.673026 0.500000 Li\n0.679671 0.320329 0.500000 Li\n0.168374 0.191464 0.732572 Li\n0.324213 0.675787 0.000000 Ti\n0.814391 0.829251 0.748537 Si\n0.170749 0.185609 0.251463 Si\n0.690154 0.698666 0.980440 O\n0.692626 0.694278 0.544663 O\n0.225600 0.874334 0.239152 O\n0.868610 0.201458 0.250329 O\n0.125666 0.774400 0.760848 O\n0.798542 0.131390 0.749671 O\n0.301334 0.309846 0.019560 O\n0.305722 0.307374 0.455337 O\n","nsites":16,"nelements":4,"elements":["Li","Ti","Si","O"],"chemical_system":"Li-O-Si-Ti","density":2.495540213416989,"density_atomic":0.09014678478076901,"volume":177.48830464570574,"volume_molar":6.680372211438762,"formula_full":"Li5 Ti1 Si2 O8","formula_reduced":"Li5Ti(SiO4)2","formula_anonymous":"AB2C5D8","energy":-113.35230911,"energy_per_atom":-7.084519319375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.85630911,"band_gap":0.5455000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0011275,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.759000Z","spacegroup":5},{"id":"mp-15685","created_at":"2022-09-04T14:48:00.809022Z","structure_string":"Na4 Cu2 As2\n1.0\n3.591519 -4.442331 0.000000\n3.591519 4.442331 0.000000\n0.000000 0.000000 5.324698\nNa Cu As\n4 2 2\ndirect\n0.971080 0.321636 0.750000 Na\n0.028920 0.678364 0.250000 Na\n0.678364 0.028920 0.250000 Na\n0.321636 0.971080 0.750000 Na\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.770065 0.770065 0.750000 As\n0.229935 0.229935 0.250000 As\n","nsites":8,"nelements":3,"elements":["Na","Cu","As"],"chemical_system":"As-Cu-Na","density":3.6052630323773207,"density_atomic":0.04708427928957221,"volume":169.90809078332362,"volume_molar":12.79013048700042,"formula_full":"Na4 Cu2 As2","formula_reduced":"Na2CuAs","formula_anonymous":"ABC2","energy":-25.74641299,"energy_per_atom":-3.21830162375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.74641299,"band_gap":0.6542999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008777,"is_theoretical":false,"updated_at":"2021-11-28T01:38:31.344000Z","spacegroup":63},{"id":"mp-5666","created_at":"2022-09-04T14:48:00.813899Z","structure_string":"Ho1 Mn2 Ge2\n1.0\n-1.963138 1.963138 5.429658\n1.963138 -1.963138 5.429658\n1.963138 1.963138 -5.429658\nHo Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.618445 0.618445 0.000000 Ge\n0.381555 0.381555 0.000000 Ge\n","nsites":5,"nelements":3,"elements":["Ho","Mn","Ge"],"chemical_system":"Ge-Ho-Mn","density":8.334002061455411,"density_atomic":0.05973596423359511,"volume":83.70167057901165,"volume_molar":10.081264841479179,"formula_full":"Ho1 Mn2 Ge2","formula_reduced":"Ho(MnGe)2","formula_anonymous":"AB2C2","energy":-34.55245508,"energy_per_atom":-6.910491016,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.55245508,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0731369,"is_theoretical":false,"updated_at":"2021-11-28T01:38:24.524000Z","spacegroup":139},{"id":"mp-1219202","created_at":"2022-09-04T14:48:00.897825Z","structure_string":"Sm2 Ga3 Co1\n1.0\n3.836774 0.000000 0.000000\n0.000000 4.297108 0.000000\n0.000000 0.000000 7.585398\nSm Ga Co\n2 3 1\ndirect\n0.000000 0.500000 0.022054 Sm\n0.000000 0.000000 0.486380 Sm\n0.500000 0.000000 0.835156 Ga\n0.500000 0.000000 0.175087 Ga\n0.500000 0.500000 0.653846 Ga\n0.500000 0.500000 0.327476 Co\n","nsites":6,"nelements":3,"elements":["Sm","Ga","Co"],"chemical_system":"Co-Ga-Sm","density":7.552744113699581,"density_atomic":0.047976701956236274,"volume":125.06070145199064,"volume_molar":12.552219128137066,"formula_full":"Sm2 Ga3 Co1","formula_reduced":"Sm2Ga3Co","formula_anonymous":"AB2C3","energy":-28.805174900000004,"energy_per_atom":-4.800862483333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.805174900000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0064033,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.357000Z","spacegroup":25},{"id":"mp-1206139","created_at":"2022-09-04T14:48:00.916061Z","structure_string":"Na3 Sb1 F6\n1.0\n-2.851166 -6.069829 0.910339\n-3.718207 6.533814 -0.731144\n0.341481 2.059599 -7.739290\nNa Sb F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Sb\n0.080161 0.334942 0.877151 F\n0.919839 0.665058 0.122849 F\n0.948322 0.868667 0.761781 F\n0.051678 0.131333 0.238219 F\n0.592060 0.835615 0.939006 F\n0.407940 0.164385 0.060994 F\n","nsites":10,"nelements":3,"elements":["Na","Sb","F"],"chemical_system":"F-Na-Sb","density":1.6478738494317866,"density_atomic":0.03256674051210352,"volume":307.06173976125956,"volume_molar":18.49169018852794,"formula_full":"Na3 Sb1 F6","formula_reduced":"Na3SbF6","formula_anonymous":"AB3C6","energy":-45.97615032,"energy_per_atom":-4.597615032,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.20415032,"band_gap":3.2108,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006602,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.312000Z","spacegroup":2}]}