{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=43","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=41","results":[{"id":"mp-859114","created_at":"2022-09-04T14:39:24.657366Z","structure_string":"Co4 Sb2 O12\n1.0\n2.545437 -4.422094 0.000000\n2.545437 4.422094 0.000000\n0.000000 0.000000 9.787617\nCo Sb O\n4 2 12\ndirect\n0.833373 0.166627 0.500000 Co\n0.333373 0.666627 0.000000 Co\n0.666627 0.333373 0.000000 Co\n0.166627 0.833373 0.500000 Co\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.650691 0.650691 0.099772 O\n0.849309 0.849309 0.599772 O\n0.150691 0.150691 0.400228 O\n0.500528 0.849270 0.401172 O\n0.349309 0.349309 0.900228 O\n0.650730 0.999472 0.901172 O\n0.000528 0.349270 0.098828 O\n0.150730 0.499472 0.598828 O\n0.499472 0.150730 0.598828 O\n0.849270 0.500528 0.401172 O\n0.999472 0.650730 0.901172 O\n0.349270 0.000528 0.098828 O\n","nsites":18,"nelements":3,"elements":["Co","Sb","O"],"chemical_system":"Co-O-Sb","density":5.058633915909336,"density_atomic":0.08169118954913432,"volume":220.34199892723618,"volume_molar":7.371836293775474,"formula_full":"Co4 Sb2 O12","formula_reduced":"Co2SbO6","formula_anonymous":"AB2C6","energy":-120.4599356,"energy_per_atom":-6.692218644444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.6639356,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000256,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.999000Z","spacegroup":64},{"id":"mp-998916","created_at":"2022-09-04T14:39:24.668205Z","structure_string":"K4 O8\n1.0\n6.203761 0.000000 0.000000\n0.000000 6.203761 0.000000\n0.000000 0.000000 6.203761\nK O\n4 8\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.436993 0.063007 0.936993 O\n0.063007 0.936993 0.436993 O\n0.936993 0.436993 0.063007 O\n0.563007 0.563007 0.563007 O\n0.436993 0.436993 0.436993 O\n0.063007 0.563007 0.936993 O\n0.936993 0.063007 0.563007 O\n0.563007 0.936993 0.063007 O\n","nsites":12,"nelements":2,"elements":["K","O"],"chemical_system":"K-O","density":1.9778611526843288,"density_atomic":0.05025925784307821,"volume":238.76198167245042,"volume_molar":11.982152181400306,"formula_full":"K4 O8","formula_reduced":"KO2","formula_anonymous":"AB2","energy":-55.33018023,"energy_per_atom":-4.610848352500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.04218023,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999207,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.259000Z","spacegroup":205},{"id":"mp-1211792","created_at":"2022-09-04T14:39:23.927825Z","structure_string":"K2 Ce2 Cl8 O8\n1.0\n0.000000 0.000000 6.230790\n7.199596 0.000000 0.000000\n0.000000 9.986424 0.000000\nK Ce Cl O\n2 2 8 8\ndirect\n0.106247 0.000000 0.000000 K\n0.893753 0.500000 0.500000 K\n0.491448 0.000000 0.500000 Ce\n0.508552 0.500000 0.000000 Ce\n0.594966 0.166067 0.134250 Cl\n0.594966 0.833933 0.865750 Cl\n0.405034 0.333933 0.634250 Cl\n0.405034 0.666067 0.365750 Cl\n0.132402 0.125020 0.337435 Cl\n0.132402 0.874980 0.662565 Cl\n0.867598 0.374980 0.837435 Cl\n0.867598 0.625020 0.162565 Cl\n0.176031 0.468310 0.106578 O\n0.176031 0.531690 0.893422 O\n0.823969 0.031690 0.606578 O\n0.823969 0.968310 0.393422 O\n0.619371 0.216040 0.365870 O\n0.619371 0.783960 0.634130 O\n0.380629 0.283960 0.865870 O\n0.380629 0.716040 0.134130 O\n","nsites":20,"nelements":4,"elements":["K","Ce","Cl","O"],"chemical_system":"Ce-Cl-K-O","density":2.8543389208087637,"density_atomic":0.04464458119040689,"volume":447.98269950615077,"volume_molar":13.489074372354112,"formula_full":"K2 Ce2 Cl8 O8","formula_reduced":"KCe(ClO)4","formula_anonymous":"ABC4D4","energy":-87.04994814999999,"energy_per_atom":-4.3524974075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.55394815,"band_gap":0.4951,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":13.9993264,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.441000Z","spacegroup":18},{"id":"mp-1223238","created_at":"2022-09-04T14:39:23.586638Z","structure_string":"La3 Mn4 Ag1 O12\n1.0\n5.564778 0.000000 0.000000\n0.000000 5.529763 0.000000\n0.000000 0.095670 7.817815\nLa Mn Ag O\n3 4 1 12\ndirect\n0.498082 0.000000 0.000000 La\n0.999624 0.500000 0.000000 La\n0.499176 0.000000 0.500000 La\n0.999326 0.000690 0.745551 Mn\n0.499858 0.500181 0.254552 Mn\n0.999326 0.999310 0.254449 Mn\n0.499858 0.499819 0.745448 Mn\n0.999958 0.500000 0.500000 Ag\n0.719925 0.780699 0.781860 O\n0.225875 0.273456 0.272664 O\n0.225875 0.726544 0.727336 O\n0.719925 0.219301 0.218140 O\n0.053622 0.000000 0.000000 O\n0.561891 0.500000 0.500000 O\n0.769691 0.268550 0.789808 O\n0.287293 0.788132 0.268713 O\n0.938764 0.000000 0.500000 O\n0.444950 0.500000 0.000000 O\n0.287293 0.211868 0.731287 O\n0.769691 0.731450 0.210192 O\n","nsites":20,"nelements":4,"elements":["La","Mn","Ag","O"],"chemical_system":"Ag-La-Mn-O","density":6.46305861889994,"density_atomic":0.08313621436784255,"volume":240.56904866402104,"volume_molar":7.243703367770123,"formula_full":"La3 Mn4 Ag1 O12","formula_reduced":"La3Mn4AgO12","formula_anonymous":"AB3C4D12","energy":-164.86069829999997,"energy_per_atom":-8.243034914999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.9446983,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0004313,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.449000Z","spacegroup":3},{"id":"mp-1204517","created_at":"2022-09-04T14:39:23.927674Z","structure_string":"Er4 Fe28 Si6\n1.0\n4.152767 -7.192804 0.000000\n4.152767 7.192804 0.000000\n0.000000 0.000000 8.180055\nEr Fe Si\n4 28 6\ndirect\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.333333 0.666667 0.390181 Fe\n0.666667 0.333333 0.609819 Fe\n0.666667 0.333333 0.890181 Fe\n0.333333 0.666667 0.109819 Fe\n0.329889 0.357824 0.250000 Fe\n0.642176 0.972065 0.250000 Fe\n0.027935 0.670111 0.250000 Fe\n0.642176 0.670111 0.250000 Fe\n0.027935 0.357824 0.250000 Fe\n0.329889 0.972065 0.250000 Fe\n0.670111 0.642176 0.750000 Fe\n0.357824 0.027935 0.750000 Fe\n0.972065 0.329889 0.750000 Fe\n0.357824 0.329889 0.750000 Fe\n0.972065 0.642176 0.750000 Fe\n0.670111 0.027935 0.750000 Fe\n0.167948 0.832052 0.513137 Fe\n0.167948 0.335895 0.513137 Fe\n0.664105 0.832052 0.513137 Fe\n0.832052 0.167948 0.486863 Fe\n0.832052 0.664105 0.486863 Fe\n0.335895 0.167948 0.486863 Fe\n0.832052 0.167948 0.013137 Fe\n0.832052 0.664105 0.013137 Fe\n0.335895 0.167948 0.013137 Fe\n0.167948 0.832052 0.986863 Fe\n0.167948 0.335895 0.986863 Fe\n0.664105 0.832052 0.986863 Fe\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n","nsites":38,"nelements":3,"elements":["Er","Fe","Si"],"chemical_system":"Er-Fe-Si","density":8.159377932783716,"density_atomic":0.07776095511907531,"volume":488.6771251949082,"volume_molar":7.7444274581996835,"formula_full":"Er4 Fe28 Si6","formula_reduced":"Er2Fe14Si3","formula_anonymous":"A2B3C14","energy":-298.09057924,"energy_per_atom":-7.844488927368421,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-298.51657924,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":52.2631319,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.192000Z","spacegroup":194},{"id":"mp-25955","created_at":"2022-09-04T14:39:24.632984Z","structure_string":"Li4 Mn4 P8 O28\n1.0\n8.465042 0.000000 0.000000\n0.000000 6.631988 0.000000\n0.000000 1.933932 8.901328\nLi Mn P O\n4 4 8 28\ndirect\n0.081731 0.775899 0.757569 Li\n0.418269 0.775899 0.757569 Li\n0.581731 0.224101 0.242431 Li\n0.918269 0.224101 0.242431 Li\n0.566408 0.252101 0.750914 Mn\n0.933592 0.252101 0.750914 Mn\n0.066408 0.747899 0.249086 Mn\n0.433592 0.747899 0.249086 Mn\n0.250000 0.498555 0.053034 P\n0.750000 0.935339 0.028643 P\n0.750000 0.581540 0.466847 P\n0.250000 0.995416 0.446944 P\n0.750000 0.501445 0.946966 P\n0.250000 0.064661 0.971357 P\n0.750000 0.004584 0.553056 P\n0.250000 0.418460 0.533153 P\n0.099983 0.410483 0.626007 O\n0.096001 0.518882 0.144427 O\n0.250000 0.255550 0.053729 O\n0.250000 0.879174 0.113952 O\n0.596001 0.481118 0.855573 O\n0.903999 0.481118 0.855573 O\n0.750000 0.744450 0.946271 O\n0.750000 0.120826 0.886048 O\n0.100464 0.059389 0.882160 O\n0.399536 0.059389 0.882160 O\n0.250000 0.623623 0.894714 O\n0.403999 0.518882 0.144427 O\n0.400017 0.410483 0.626007 O\n0.750000 0.390870 0.597251 O\n0.595611 0.026277 0.643938 O\n0.904389 0.026277 0.643938 O\n0.250000 0.878312 0.607401 O\n0.750000 0.761786 0.559529 O\n0.899536 0.940611 0.117840 O\n0.750000 0.121688 0.392599 O\n0.095611 0.973723 0.356062 O\n0.404389 0.973723 0.356062 O\n0.250000 0.609130 0.402749 O\n0.599983 0.589517 0.373993 O\n0.900017 0.589517 0.373993 O\n0.750000 0.376377 0.105286 O\n0.600464 0.940611 0.117840 O\n0.250000 0.238214 0.440471 O\n","nsites":44,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.1344867133832675,"density_atomic":0.08804912067249131,"volume":499.7210609707619,"volume_molar":6.839524022505615,"formula_full":"Li4 Mn4 P8 O28","formula_reduced":"LiMnP2O7","formula_anonymous":"ABC2D7","energy":-337.48795324,"energy_per_atom":-7.670180755454546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-311.57995324,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0016661,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.485000Z","spacegroup":11},{"id":"mp-1086672","created_at":"2022-09-04T14:39:23.487631Z","structure_string":"Mn2 O6\n1.0\n-2.606400 2.844543 3.138173\n2.606400 -2.844543 3.138173\n2.606400 2.844543 -3.138173\nMn O\n2 6\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.750000 0.566049 0.816049 O\n0.250000 0.433951 0.183951 O\n0.109327 0.109327 0.500000 O\n0.390673 0.890673 0.000000 O\n0.609327 0.109327 0.000000 O\n0.890673 0.890673 0.500000 O\n","nsites":8,"nelements":2,"elements":["Mn","O"],"chemical_system":"Mn-O","density":3.673304845461494,"density_atomic":0.08596062093154365,"volume":93.06587031718803,"volume_molar":7.005697137525152,"formula_full":"Mn2 O6","formula_reduced":"MnO3","formula_anonymous":"AB3","energy":-55.00568849,"energy_per_atom":-6.87571106125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.70368849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0032235,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.190000Z","spacegroup":74},{"id":"mp-1196723","created_at":"2022-09-04T14:39:26.386736Z","structure_string":"Ba8 P16 H24 O52\n1.0\n11.515322 0.000000 0.000000\n0.000000 8.996363 0.000000\n-10.945356 0.000000 14.067531\nBa P H O\n8 16 24 52\ndirect\n0.700908 0.031949 0.486095 Ba\n0.700908 0.468051 0.986095 Ba\n0.299092 0.968051 0.513905 Ba\n0.299092 0.531949 0.013905 Ba\n0.739142 0.504903 0.477210 Ba\n0.739142 0.995097 0.977210 Ba\n0.260858 0.495097 0.522790 Ba\n0.260858 0.004903 0.022790 Ba\n0.986303 0.639235 0.730273 P\n0.986303 0.860765 0.230273 P\n0.013697 0.360765 0.269727 P\n0.013697 0.139235 0.769727 P\n0.574853 0.781568 0.248363 P\n0.574853 0.718432 0.748363 P\n0.425147 0.218432 0.751637 P\n0.425147 0.281568 0.251637 P\n0.956910 0.229332 0.435194 P\n0.956910 0.270668 0.935194 P\n0.043090 0.770668 0.564806 P\n0.043090 0.729332 0.064806 P\n0.390442 0.688969 0.391430 P\n0.390442 0.811031 0.891430 P\n0.609558 0.311031 0.608570 P\n0.609558 0.188969 0.108570 P\n0.684245 0.821178 0.620154 H\n0.684245 0.678822 0.120154 H\n0.315755 0.178822 0.379846 H\n0.315755 0.321178 0.879846 H\n0.727710 0.964734 0.680767 H\n0.727710 0.535266 0.180767 H\n0.272290 0.035266 0.319233 H\n0.272290 0.464734 0.819233 H\n0.038852 0.785226 0.760495 H\n0.038852 0.714774 0.260495 H\n0.961148 0.214774 0.239505 H\n0.961148 0.285226 0.739505 H\n0.689288 0.803541 0.241863 H\n0.689288 0.696459 0.741863 H\n0.310712 0.196459 0.758137 H\n0.310712 0.303541 0.258137 H\n0.866393 0.129540 0.359248 H\n0.866393 0.370460 0.859248 H\n0.133607 0.870460 0.640752 H\n0.133607 0.629540 0.140752 H\n0.302202 0.749561 0.299272 H\n0.302202 0.750439 0.799272 H\n0.697798 0.250439 0.700728 H\n0.697798 0.249561 0.200728 H\n0.649820 0.922355 0.618053 O\n0.649820 0.577645 0.118053 O\n0.350180 0.077645 0.381947 O\n0.350180 0.422355 0.881947 O\n0.041247 0.540150 0.814121 O\n0.041247 0.959850 0.314121 O\n0.958753 0.459850 0.185879 O\n0.958753 0.040150 0.685879 O\n0.094275 0.568551 0.704642 O\n0.094275 0.931449 0.204642 O\n0.905725 0.431449 0.295358 O\n0.905725 0.068551 0.795358 O\n0.827309 0.643339 0.643295 O\n0.827309 0.856661 0.143295 O\n0.172691 0.356661 0.356705 O\n0.172691 0.143339 0.856705 O\n0.582076 0.909004 0.309351 O\n0.582076 0.590996 0.809351 O\n0.417924 0.090996 0.690649 O\n0.417924 0.409004 0.190649 O\n0.613041 0.643715 0.311041 O\n0.613041 0.856285 0.811041 O\n0.386959 0.356285 0.688959 O\n0.386959 0.143715 0.188959 O\n0.429322 0.769358 0.149147 O\n0.429322 0.730642 0.649147 O\n0.570678 0.230642 0.850853 O\n0.570678 0.269358 0.350853 O\n0.920034 0.398075 0.386103 O\n0.920034 0.101925 0.886103 O\n0.079966 0.601925 0.613897 O\n0.079966 0.898075 0.113897 O\n0.901854 0.250720 0.492710 O\n0.901854 0.249280 0.992710 O\n0.098146 0.749280 0.507290 O\n0.098146 0.750720 0.007290 O\n0.116743 0.193020 0.485567 O\n0.116743 0.306980 0.985567 O\n0.883257 0.806980 0.514433 O\n0.883257 0.693020 0.014433 O\n0.308541 0.708039 0.432728 O\n0.308541 0.791961 0.932728 O\n0.691459 0.291961 0.567272 O\n0.691459 0.208039 0.067272 O\n0.429569 0.527248 0.386003 O\n0.429569 0.972752 0.886003 O\n0.570431 0.472752 0.613997 O\n0.570431 0.027248 0.113997 O\n0.541987 0.765662 0.449864 O\n0.541987 0.734338 0.949864 O\n0.458013 0.234338 0.550136 O\n0.458013 0.265662 0.050136 O\n","nsites":100,"nelements":4,"elements":["Ba","P","H","O"],"chemical_system":"Ba-H-O-P","density":2.792011902323952,"density_atomic":0.06861815899115987,"volume":1457.3401774431616,"volume_molar":8.776307683766097,"formula_full":"Ba8 P16 H24 O52","formula_reduced":"Ba2P4H6O13","formula_anonymous":"A2B4C6D13","energy":-631.9022495400001,"energy_per_atom":-6.3190224954000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-596.17824954,"band_gap":0.2030999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.5546277,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.375000Z","spacegroup":14},{"id":"mp-1196319","created_at":"2022-09-04T14:39:23.933850Z","structure_string":"Zn12 As8 O40\n1.0\n6.594276 0.000000 0.000000\n-3.008894 8.747126 0.000000\n-2.537702 -4.047677 13.919726\nZn As O\n12 8 40\ndirect\n0.800244 0.980633 0.423948 Zn\n0.199756 0.019367 0.576052 Zn\n0.293678 0.454130 0.908003 Zn\n0.706322 0.545870 0.091997 Zn\n0.628041 0.341481 0.601702 Zn\n0.371959 0.658519 0.398298 Zn\n0.165077 0.773099 0.934273 Zn\n0.834923 0.226901 0.065727 Zn\n0.337076 0.328128 0.265469 Zn\n0.662924 0.671872 0.734531 Zn\n0.874675 0.092494 0.847706 Zn\n0.125325 0.907506 0.152294 Zn\n0.648570 0.934707 0.615627 As\n0.351430 0.065293 0.384373 As\n0.815217 0.620325 0.327262 As\n0.184783 0.379675 0.672738 As\n0.236353 0.576600 0.138061 As\n0.763647 0.423400 0.861939 As\n0.288087 0.171149 0.037627 As\n0.711913 0.828851 0.962373 As\n0.878183 0.997819 0.570503 O\n0.121817 0.002181 0.429497 O\n0.699695 0.736494 0.393507 O\n0.300305 0.263506 0.606493 O\n0.470995 0.924654 0.381055 O\n0.529005 0.075346 0.618945 O\n0.881259 0.222956 0.446891 O\n0.118741 0.777044 0.553109 O\n0.761880 0.019798 0.242013 O\n0.238120 0.980202 0.757987 O\n0.380029 0.506875 0.063304 O\n0.619971 0.493125 0.936696 O\n0.042319 0.540238 0.914684 O\n0.957681 0.459762 0.085316 O\n0.138467 0.316190 0.771951 O\n0.861533 0.683810 0.228049 O\n0.930054 0.342789 0.595640 O\n0.069946 0.657211 0.404360 O\n0.539807 0.249133 0.453074 O\n0.460193 0.750867 0.546926 O\n0.307592 0.546068 0.248498 O\n0.692408 0.453932 0.751502 O\n0.189082 0.843583 0.766807 O\n0.810918 0.156417 0.233193 O\n0.150715 0.220742 0.123872 O\n0.849285 0.779258 0.876128 O\n0.243428 0.973991 0.033870 O\n0.756572 0.026009 0.966130 O\n0.566976 0.275283 0.081598 O\n0.433024 0.724717 0.918402 O\n0.662446 0.421344 0.297716 O\n0.337554 0.578656 0.702284 O\n0.727777 0.586293 0.612103 O\n0.272223 0.413707 0.387897 O\n0.735706 0.914169 0.729348 O\n0.264294 0.085831 0.270652 O\n0.184961 0.195901 0.928710 O\n0.815039 0.804099 0.071290 O\n0.292721 0.770268 0.142359 O\n0.707279 0.229732 0.857641 O\n","nsites":60,"nelements":3,"elements":["Zn","As","O"],"chemical_system":"As-O-Zn","density":4.186504042700326,"density_atomic":0.07472880905079744,"volume":802.903201082926,"volume_molar":8.05866015595994,"formula_full":"Zn12 As8 O40","formula_reduced":"Zn3(AsO5)2","formula_anonymous":"A2B3C10","energy":-315.12656274,"energy_per_atom":-5.252109379,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.68656274,"band_gap":0.0662,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0012619,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.507000Z","spacegroup":2},{"id":"mp-1220892","created_at":"2022-09-04T14:39:24.653041Z","structure_string":"Na1 Ti3 Nb1 Cu3 O12\n1.0\n3.751731 -5.311433 0.000000\n3.751731 5.311433 0.000000\n-3.767818 0.000000 5.300033\nNa Ti Nb Cu O\n1 3 1 3 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.306388 0.820211 0.126978 O\n0.693612 0.179789 0.873022 O\n0.305059 0.175739 0.484955 O\n0.694941 0.824261 0.515045 O\n0.820211 0.126978 0.306388 O\n0.179789 0.873022 0.693612 O\n0.175739 0.484955 0.305059 O\n0.824261 0.515045 0.694941 O\n0.126978 0.306388 0.820211 O\n0.873022 0.693612 0.179789 O\n0.484955 0.305059 0.175739 O\n0.515045 0.694941 0.824261 O\n","nsites":20,"nelements":5,"elements":["Na","Ti","Nb","Cu","O"],"chemical_system":"Cu-Na-Nb-O-Ti","density":5.047992514300289,"density_atomic":0.09468431181397571,"volume":211.2282342960213,"volume_molar":6.3602307970844985,"formula_full":"Na1 Ti3 Nb1 Cu3 O12","formula_reduced":"NaTi3Nb(CuO4)3","formula_anonymous":"ABC3D3E12","energy":-156.81253019,"energy_per_atom":-7.8406265095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.56853019,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9869562,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.915000Z","spacegroup":148},{"id":"mp-1204866","created_at":"2022-09-04T14:39:24.656334Z","structure_string":"K4 Mn2 S4 O24\n1.0\n5.124704 5.731498 0.000000\n-5.124704 5.731498 0.000000\n0.000000 0.867532 10.025934\nK Mn S O\n4 2 4 24\ndirect\n0.904134 0.413186 0.758762 K\n0.413186 0.904134 0.758762 K\n0.095866 0.586814 0.241238 K\n0.586814 0.095866 0.241238 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.297524 0.297524 0.956704 S\n0.702476 0.702476 0.043296 S\n0.783169 0.783169 0.523771 S\n0.216831 0.216831 0.476229 S\n0.219018 0.459082 0.888770 O\n0.459082 0.219018 0.888770 O\n0.780982 0.540918 0.111230 O\n0.540918 0.780982 0.111230 O\n0.951980 0.714637 0.578461 O\n0.714637 0.951980 0.578461 O\n0.048020 0.285363 0.421539 O\n0.285363 0.048020 0.421539 O\n0.161305 0.161305 0.943723 O\n0.838695 0.838695 0.056277 O\n0.687219 0.687219 0.900020 O\n0.312781 0.312781 0.099980 O\n0.651920 0.651920 0.579616 O\n0.348080 0.348080 0.420384 O\n0.206988 0.206988 0.622587 O\n0.793012 0.793012 0.377413 O\n0.326462 0.618488 0.604321 O\n0.618488 0.326462 0.604321 O\n0.673538 0.381512 0.395679 O\n0.381512 0.673538 0.395679 O\n0.817549 0.182451 0.000000 O\n0.182451 0.817549 0.000000 O\n0.982938 0.982938 0.816003 O\n0.017062 0.017062 0.183997 O\n","nsites":34,"nelements":4,"elements":["K","Mn","S","O"],"chemical_system":"K-Mn-O-S","density":2.194948085086556,"density_atomic":0.05772808473206675,"volume":588.9680933951669,"volume_molar":10.431908122278005,"formula_full":"K4 Mn2 S4 O24","formula_reduced":"K2Mn(SO6)2","formula_anonymous":"AB2C2D12","energy":-202.18662384,"energy_per_atom":-5.946665407058823,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.36262384,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.195000Z","spacegroup":12},{"id":"mp-677126","created_at":"2022-09-04T14:39:26.467487Z","structure_string":"Ca10 Yb5 F35\n1.0\n7.875667 -0.185033 -4.089394\n-1.879536 7.688428 -4.096294\n0.238737 0.288335 10.212817\nCa Yb F\n10 5 35\ndirect\n0.020603 0.473614 0.683020 Ca\n0.209665 0.020172 0.685049 Ca\n0.471561 0.662584 0.681184 Ca\n0.338147 0.788431 0.317854 Ca\n0.663322 0.209345 0.682120 Ca\n0.528660 0.340242 0.317666 Ca\n0.498826 0.498372 0.999793 Ca\n0.790483 0.981617 0.316264 Ca\n0.687279 0.099375 0.999242 Ca\n0.979187 0.526210 0.317076 Ca\n0.189153 0.189053 0.379186 Yb\n0.102416 0.317693 0.001310 Yb\n0.310885 0.900712 0.000557 Yb\n0.812064 0.810769 0.620929 Yb\n0.898040 0.683593 0.998906 Yb\n0.085378 0.787323 0.739929 F\n0.066034 0.170793 0.537253 F\n0.213285 0.347952 0.842191 F\n0.173634 0.469534 0.538956 F\n0.043006 0.916032 0.255154 F\n0.347750 0.630258 0.844506 F\n0.008990 0.996202 0.001073 F\n0.084615 0.585752 0.169256 F\n0.251427 0.747491 0.499361 F\n0.414406 0.913744 0.830772 F\n0.218748 0.342113 0.261009 F\n0.362210 0.065540 0.536288 F\n0.491954 0.215377 0.836754 F\n0.147065 0.707491 0.996115 F\n0.341729 0.038366 0.262280 F\n0.469668 0.364506 0.540339 F\n0.629118 0.497031 0.843627 F\n0.287396 0.147718 0.996999 F\n0.370306 0.503494 0.156179 F\n0.531828 0.636144 0.461801 F\n0.655544 0.958212 0.734102 F\n0.501732 0.783584 0.156388 F\n0.637880 0.931875 0.458293 F\n0.783023 0.659237 0.741123 F\n0.579303 0.083412 0.170288 F\n0.748763 0.253114 0.500648 F\n0.916124 0.415599 0.830962 F\n0.650595 0.373965 0.159598 F\n0.955026 0.084166 0.742689 F\n0.832720 0.533909 0.467058 F\n0.785451 0.652010 0.156755 F\n0.710738 0.849018 0.003200 F\n0.933329 0.827012 0.460556 F\n0.916676 0.215485 0.264555 F\n0.854257 0.294758 0.003791 F\n","nsites":50,"nelements":3,"elements":["Ca","Yb","F"],"chemical_system":"Ca-F-Yb","density":5.05693609524863,"density_atomic":0.07885752941086098,"volume":634.0548629096861,"volume_molar":7.636735268009265,"formula_full":"Ca10 Yb5 F35","formula_reduced":"Ca2YbF7","formula_anonymous":"AB2C7","energy":-287.93349083000004,"energy_per_atom":-5.758669816600001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.76349083,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1221906,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.505000Z","spacegroup":1}]}