{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10259","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10257","results":[{"id":"mp-559462","created_at":"2022-09-04T14:40:32.951678Z","structure_string":"Cr4 Hg12 Pb8 O32\n1.0\n22.394206 0.000000 0.000000\n0.000000 6.576206 0.000000\n0.000000 2.404240 6.783086\nCr Hg Pb O\n4 12 8 32\ndirect\n0.388596 0.414764 0.864599 Cr\n0.888596 0.585236 0.635401 Cr\n0.111404 0.414764 0.364599 Cr\n0.611404 0.585236 0.135401 Cr\n0.055953 0.495069 0.825156 Hg\n0.717902 0.640642 0.600710 Hg\n0.944047 0.504931 0.174844 Hg\n0.217902 0.359358 0.899290 Hg\n0.861914 0.073750 0.128450 Hg\n0.638086 0.073750 0.628450 Hg\n0.282098 0.359358 0.399290 Hg\n0.782098 0.640642 0.100710 Hg\n0.138086 0.926250 0.871550 Hg\n0.555953 0.504931 0.674844 Hg\n0.361914 0.926250 0.371550 Hg\n0.444047 0.495069 0.325156 Hg\n0.521749 0.028515 0.240636 Pb\n0.798568 0.166463 0.572529 Pb\n0.978251 0.028515 0.740636 Pb\n0.021749 0.971485 0.259364 Pb\n0.298568 0.833537 0.927471 Pb\n0.201432 0.833537 0.427471 Pb\n0.478251 0.971485 0.759364 Pb\n0.701432 0.166463 0.072529 Pb\n0.456440 0.316400 0.940588 O\n0.642409 0.733474 0.256585 O\n0.043560 0.316400 0.440588 O\n0.041724 0.172137 0.921097 O\n0.956440 0.683600 0.559412 O\n0.357591 0.266526 0.743415 O\n0.458276 0.172137 0.421097 O\n0.894618 0.326011 0.780121 O\n0.857591 0.733474 0.756585 O\n0.543560 0.683600 0.059412 O\n0.845107 0.587544 0.444154 O\n0.785885 0.971048 0.009302 O\n0.105382 0.673989 0.219879 O\n0.224293 0.685654 0.791689 O\n0.142409 0.266526 0.243415 O\n0.345107 0.412456 0.055846 O\n0.154893 0.412456 0.555846 O\n0.714115 0.971048 0.509302 O\n0.775707 0.314346 0.208311 O\n0.605382 0.326011 0.280121 O\n0.067490 0.823208 0.731712 O\n0.567490 0.176792 0.768288 O\n0.432510 0.823208 0.231712 O\n0.285885 0.028952 0.490698 O\n0.932510 0.176792 0.268288 O\n0.958276 0.827863 0.078903 O\n0.654893 0.587544 0.944154 O\n0.724293 0.314346 0.708311 O\n0.214115 0.028952 0.990698 O\n0.541724 0.827863 0.578903 O\n0.394618 0.673989 0.719879 O\n0.275707 0.685654 0.291689 O\n","nsites":56,"nelements":4,"elements":["Cr","Hg","Pb","O"],"chemical_system":"Cr-Hg-O-Pb","density":7.953539364707387,"density_atomic":0.05605955238263404,"volume":998.9376942893235,"volume_molar":10.742398938357418,"formula_full":"Cr4 Hg12 Pb8 O32","formula_reduced":"CrHg3(PbO4)2","formula_anonymous":"AB2C3D8","energy":-300.58803954,"energy_per_atom":-5.367643563214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.60803954,"band_gap":1.5460000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007024,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.664000Z","spacegroup":14},{"id":"mp-1222840","created_at":"2022-09-04T14:40:32.933677Z","structure_string":"La2 Ge4 Pd2 Rh2\n1.0\n4.425050 0.000000 0.000000\n0.000000 4.425050 0.000000\n0.000000 0.000000 9.950375\nLa Ge Pd Rh\n2 4 2 2\ndirect\n0.000000 0.500000 0.255541 La\n0.500000 0.000000 0.744459 La\n0.000000 0.500000 0.867084 Ge\n0.500000 0.000000 0.132916 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.621351 Rh\n0.500000 0.000000 0.378649 Rh\n","nsites":10,"nelements":4,"elements":["La","Ge","Pd","Rh"],"chemical_system":"Ge-La-Pd-Rh","density":8.412016019204083,"density_atomic":0.05132443617264302,"volume":194.8389645501884,"volume_molar":11.733476700538848,"formula_full":"La2 Ge4 Pd2 Rh2","formula_reduced":"LaGe2PdRh","formula_anonymous":"ABCD2","energy":-62.22762857,"energy_per_atom":-6.222762857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.22762857,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001622,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.925000Z","spacegroup":129},{"id":"mp-1228624","created_at":"2022-09-04T14:40:32.935197Z","structure_string":"Ba6 Ti8 Sb8 O42\n1.0\n4.554860 7.874539 0.000000\n-4.554860 7.874539 0.000000\n0.000000 0.063730 12.054343\nBa Ti Sb O\n6 8 8 42\ndirect\n0.406271 0.999771 0.249396 Ba\n0.000229 0.593729 0.250604 Ba\n0.590843 0.409157 0.250000 Ba\n0.593729 0.000229 0.750604 Ba\n0.999771 0.406271 0.749396 Ba\n0.409157 0.590843 0.750000 Ba\n0.996567 0.252357 0.400728 Ti\n0.247171 0.748186 0.402277 Ti\n0.003433 0.747643 0.599272 Ti\n0.752829 0.251814 0.597723 Ti\n0.252357 0.996567 0.900728 Ti\n0.748186 0.247171 0.902277 Ti\n0.747643 0.003433 0.099272 Ti\n0.251814 0.752829 0.097723 Ti\n0.334329 0.331673 0.500178 Sb\n0.665671 0.668327 0.499822 Sb\n0.668327 0.665671 0.999822 Sb\n0.331673 0.334329 0.000178 Sb\n0.762206 0.000001 0.413580 Sb\n0.237794 0.999999 0.586420 Sb\n0.000001 0.762206 0.913580 Sb\n0.999999 0.237794 0.086420 Sb\n0.313281 0.516901 0.399097 O\n0.513319 0.169135 0.394180 O\n0.168279 0.313874 0.402122 O\n0.829215 0.483567 0.399666 O\n0.681663 0.831776 0.394080 O\n0.480681 0.687337 0.401652 O\n0.686719 0.483099 0.600903 O\n0.486681 0.830865 0.605820 O\n0.831721 0.686126 0.597878 O\n0.170785 0.516433 0.600334 O\n0.318337 0.168224 0.605920 O\n0.519319 0.312663 0.598348 O\n0.687337 0.480681 0.901652 O\n0.483567 0.829215 0.899666 O\n0.831776 0.681663 0.894080 O\n0.169135 0.513319 0.894180 O\n0.313874 0.168279 0.902122 O\n0.516901 0.313281 0.899097 O\n0.312663 0.519319 0.098348 O\n0.516433 0.170785 0.100334 O\n0.168224 0.318337 0.105920 O\n0.830865 0.486681 0.105820 O\n0.686126 0.831721 0.097878 O\n0.483099 0.686719 0.100903 O\n0.199897 0.000472 0.422205 O\n0.999482 0.797589 0.426400 O\n0.796669 0.202565 0.425579 O\n0.800103 0.999528 0.577795 O\n0.000518 0.202411 0.573600 O\n0.203331 0.797435 0.574421 O\n0.797589 0.999482 0.926400 O\n0.000472 0.199897 0.922205 O\n0.202565 0.796669 0.925579 O\n0.202411 0.000518 0.073600 O\n0.999528 0.800103 0.077795 O\n0.797435 0.203331 0.074421 O\n0.782718 0.999126 0.249890 O\n0.000874 0.217282 0.250110 O\n0.216819 0.783181 0.250000 O\n0.217282 0.000874 0.750110 O\n0.999126 0.782718 0.749890 O\n0.783181 0.216819 0.750000 O\n","nsites":64,"nelements":4,"elements":["Ba","Ti","Sb","O"],"chemical_system":"Ba-O-Sb-Ti","density":5.478604783846095,"density_atomic":0.07401270248987159,"volume":864.716431733569,"volume_molar":8.136631358413256,"formula_full":"Ba6 Ti8 Sb8 O42","formula_reduced":"Ba3Ti4Sb4O21","formula_anonymous":"A3B4C4D21","energy":-497.92605243,"energy_per_atom":-7.78009456921875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-469.07205243,"band_gap":2.4014,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.34e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.364000Z","spacegroup":15},{"id":"mp-26397","created_at":"2022-09-04T14:40:32.946255Z","structure_string":"Li4 Mn4 P8 O28\n1.0\n8.297331 0.000000 0.000000\n0.000000 6.899080 0.000000\n0.000000 3.212384 8.719697\nLi Mn P O\n4 4 8 28\ndirect\n0.432397 0.205728 0.918160 Li\n0.932397 0.794272 0.581840 Li\n0.067603 0.205728 0.418160 Li\n0.567603 0.794272 0.081840 Li\n0.066886 0.298923 0.823412 Mn\n0.566886 0.701077 0.676588 Mn\n0.433114 0.298923 0.323412 Mn\n0.933114 0.701077 0.176588 Mn\n0.723763 0.459198 0.472324 P\n0.223763 0.540802 0.027676 P\n0.736022 0.062067 0.759090 P\n0.236022 0.937933 0.740910 P\n0.276237 0.540802 0.527676 P\n0.776237 0.459198 0.972324 P\n0.263978 0.937933 0.240910 P\n0.763978 0.062067 0.259090 P\n0.581615 0.486442 0.359098 O\n0.885091 0.461605 0.393760 O\n0.775422 0.625284 0.049861 O\n0.275422 0.374716 0.450139 O\n0.418385 0.513558 0.640902 O\n0.114909 0.538395 0.606240 O\n0.224578 0.374716 0.950139 O\n0.724578 0.625284 0.549861 O\n0.614909 0.461605 0.893760 O\n0.918385 0.486442 0.859098 O\n0.314543 0.757213 0.398854 O\n0.757890 0.869577 0.207430 O\n0.093250 0.888020 0.199619 O\n0.387972 0.956833 0.119951 O\n0.185457 0.757213 0.898854 O\n0.742110 0.869577 0.707430 O\n0.887972 0.043167 0.380049 O\n0.406750 0.888020 0.699619 O\n0.593250 0.111980 0.300381 O\n0.112028 0.956833 0.619951 O\n0.257890 0.130423 0.292570 O\n0.814543 0.242787 0.101146 O\n0.612028 0.043167 0.880049 O\n0.906750 0.111980 0.800381 O\n0.242110 0.130423 0.792570 O\n0.685457 0.242787 0.601146 O\n0.081615 0.513558 0.140902 O\n0.385091 0.538395 0.106240 O\n","nsites":44,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.138073390700407,"density_atomic":0.08814987202758931,"volume":499.1499021828279,"volume_molar":6.831706752920955,"formula_full":"Li4 Mn4 P8 O28","formula_reduced":"LiMnP2O7","formula_anonymous":"ABC2D7","energy":-338.27045356,"energy_per_atom":-7.687964853636364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.36245356,"band_gap":0.9828,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0004377,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.783000Z","spacegroup":14},{"id":"mp-19480","created_at":"2022-09-04T14:40:32.952616Z","structure_string":"Sm4 Tl4 Mo8 O32\n1.0\n5.203197 0.000000 0.000000\n0.000000 8.262565 0.000000\n0.000000 0.000000 19.419947\nSm Tl Mo O\n4 4 8 32\ndirect\n0.500000 0.750000 0.504246 Sm\n0.000000 0.250000 0.995754 Sm\n0.500000 0.250000 0.495754 Sm\n0.000000 0.750000 0.004246 Sm\n0.000000 0.750000 0.773483 Tl\n0.500000 0.250000 0.726517 Tl\n0.000000 0.250000 0.226517 Tl\n0.500000 0.750000 0.273483 Tl\n0.479250 0.510288 0.900614 Mo\n0.979250 0.489712 0.599386 Mo\n0.020750 0.010288 0.599386 Mo\n0.520750 0.989712 0.900614 Mo\n0.520750 0.489712 0.099386 Mo\n0.020750 0.510288 0.400614 Mo\n0.979250 0.989712 0.400614 Mo\n0.479250 0.010288 0.099386 Mo\n0.599478 0.515652 0.815904 O\n0.099478 0.484348 0.684096 O\n0.900522 0.015652 0.684096 O\n0.400522 0.984348 0.815904 O\n0.400522 0.484348 0.184096 O\n0.900522 0.515652 0.315904 O\n0.099478 0.984348 0.315904 O\n0.599478 0.015652 0.184096 O\n0.750311 0.497875 0.963206 O\n0.250311 0.502125 0.536794 O\n0.749689 0.997875 0.536794 O\n0.249689 0.002125 0.963206 O\n0.249689 0.502125 0.036794 O\n0.749689 0.497875 0.463206 O\n0.250311 0.002125 0.463206 O\n0.750311 0.997875 0.036794 O\n0.272769 0.836783 0.094512 O\n0.772769 0.163217 0.405488 O\n0.227231 0.336783 0.405488 O\n0.727231 0.663217 0.094512 O\n0.727231 0.163217 0.905488 O\n0.227231 0.836783 0.594512 O\n0.772769 0.663217 0.594512 O\n0.272769 0.336783 0.905488 O\n0.262293 0.181347 0.090428 O\n0.762293 0.818653 0.409572 O\n0.237707 0.681347 0.409572 O\n0.737707 0.318653 0.090428 O\n0.737707 0.818653 0.909572 O\n0.237707 0.181347 0.590428 O\n0.762293 0.318653 0.590428 O\n0.262293 0.681347 0.909572 O\n","nsites":48,"nelements":4,"elements":["Sm","Tl","Mo","O"],"chemical_system":"Mo-O-Sm-Tl","density":5.367031409443342,"density_atomic":0.057492082334851695,"volume":834.8975728593919,"volume_molar":10.474730633211694,"formula_full":"Sm4 Tl4 Mo8 O32","formula_reduced":"SmTl(MoO4)2","formula_anonymous":"ABC2D8","energy":-387.2513145,"energy_per_atom":-8.067735718749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-339.6513145,"band_gap":3.5068,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.9e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.898000Z","spacegroup":60},{"id":"mp-763785","created_at":"2022-09-04T14:40:32.954787Z","structure_string":"Li4 Mn8 O4 F12\n1.0\n-0.030588 -4.416690 -4.415992\n0.000207 4.511933 -4.511224\n9.094338 0.031238 0.030833\nLi Mn O F\n4 8 4 12\ndirect\n0.000885 0.964547 0.021197 Li\n0.499212 0.035446 0.228974 Li\n0.500684 0.535433 0.521179 Li\n0.999214 0.464486 0.728754 Li\n0.750004 0.500209 0.125104 Mn\n0.249764 0.000066 0.625141 Mn\n0.250170 0.500329 0.124609 Mn\n0.749844 0.000106 0.625155 Mn\n0.000241 0.256319 0.390847 Mn\n0.999794 0.756557 0.358820 Mn\n0.500587 0.243361 0.891159 Mn\n0.500041 0.743561 0.858984 Mn\n0.999239 0.703318 0.138537 O\n0.500919 0.296840 0.111277 O\n0.499079 0.796783 0.638797 O\n0.000656 0.203144 0.611189 O\n0.000665 0.236108 0.149840 F\n0.499349 0.763937 0.100172 F\n0.500465 0.263884 0.649973 F\n0.999155 0.736110 0.600176 F\n0.246077 0.000362 0.368222 F\n0.755106 0.001469 0.369855 F\n0.244848 0.501633 0.380060 F\n0.753763 0.500438 0.381660 F\n0.746152 0.499417 0.868322 F\n0.255213 0.498410 0.869971 F\n0.253901 0.999521 0.881759 F\n0.744976 0.998208 0.880267 F\n","nsites":28,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":3.478965568559734,"density_atomic":0.07726380556686303,"volume":362.39478232494235,"volume_molar":7.794258535179868,"formula_full":"Li4 Mn8 O4 F12","formula_reduced":"LiMn2OF3","formula_anonymous":"ABC2D3","energy":-197.99622124,"energy_per_atom":-7.0712936157142865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.36022124,"band_gap":1.4867,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":19.999102,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.172000Z","spacegroup":62},{"id":"mp-553962","created_at":"2022-09-04T14:40:32.963185Z","structure_string":"Rb8 Li4 Nb4 S16\n1.0\n7.188016 0.000000 0.000000\n1.265527 11.499125 0.000000\n0.487569 3.793884 11.448348\nRb Li Nb S\n8 4 4 16\ndirect\n0.263884 0.376079 0.276688 Rb\n0.736116 0.623921 0.723312 Rb\n0.752075 0.154610 0.857280 Rb\n0.751480 0.650377 0.349189 Rb\n0.247925 0.845390 0.142720 Rb\n0.684380 0.097280 0.249615 Rb\n0.315620 0.902720 0.750385 Rb\n0.248520 0.349623 0.650811 Rb\n0.176784 0.011303 0.415298 Li\n0.778210 0.478188 0.070939 Li\n0.823216 0.988697 0.584702 Li\n0.221790 0.521812 0.929061 Li\n0.217760 0.230829 0.014359 Nb\n0.782240 0.769171 0.985641 Nb\n0.775685 0.272614 0.485585 Nb\n0.224315 0.727386 0.514415 Nb\n0.761967 0.378788 0.289692 S\n0.252730 0.599730 0.402931 S\n0.747270 0.400270 0.597069 S\n0.947130 0.853457 0.467743 S\n0.238033 0.621212 0.710308 S\n0.545526 0.143753 0.531428 S\n0.031947 0.626315 0.059690 S\n0.732150 0.894638 0.099054 S\n0.531965 0.659927 0.994217 S\n0.968053 0.373685 0.940310 S\n0.052870 0.146543 0.532257 S\n0.170845 0.117522 0.205328 S\n0.454474 0.856247 0.468572 S\n0.267850 0.105362 0.900946 S\n0.468035 0.340073 0.005783 S\n0.829155 0.882478 0.794672 S\n","nsites":32,"nelements":4,"elements":["Rb","Li","Nb","S"],"chemical_system":"Li-Nb-Rb-S","density":2.800993566986309,"density_atomic":0.033816863605169056,"volume":946.273444327009,"volume_molar":17.808099622460222,"formula_full":"Rb8 Li4 Nb4 S16","formula_reduced":"Rb2LiNbS4","formula_anonymous":"ABC2D4","energy":-169.19457672,"energy_per_atom":-5.2873305225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.14657672,"band_gap":2.1595,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029267,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.663000Z","spacegroup":2},{"id":"mp-1211694","created_at":"2022-09-04T14:40:32.964475Z","structure_string":"K2 As2 H4 O8\n1.0\n-3.841044 3.841044 -3.671075\n3.841044 -3.841044 -3.671075\n-3.841044 -3.841044 3.671075\nK As H O\n2 2 4 8\ndirect\n0.500000 0.500000 0.000000 K\n0.250000 0.750000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.750000 0.250000 0.500000 As\n0.718899 0.625000 0.593899 H\n0.031101 0.125000 0.406101 H\n0.875000 0.281101 0.906101 H\n0.375000 0.968899 0.093899 H\n0.705683 0.772680 0.748733 O\n0.023946 0.956950 0.251267 O\n0.043050 0.294317 0.066997 O\n0.044317 0.293050 0.566997 O\n0.227320 0.976054 0.933003 O\n0.726054 0.477320 0.433003 O\n0.706950 0.273946 0.751267 O\n0.522680 0.955683 0.248733 O\n","nsites":16,"nelements":4,"elements":["K","As","H","O"],"chemical_system":"As-H-K-O","density":2.759817190327396,"density_atomic":0.07385300480505476,"volume":216.64656762760322,"volume_molar":8.154225783901786,"formula_full":"K2 As2 H4 O8","formula_reduced":"KAs(HO2)2","formula_anonymous":"ABC2D4","energy":-92.09257323,"energy_per_atom":-5.755785826875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.59657323,"band_gap":4.3888,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.9e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.727000Z","spacegroup":122},{"id":"mp-1213558","created_at":"2022-09-04T14:40:32.965210Z","structure_string":"Eu4 Hf4 Mo14 O56\n1.0\n5.026109 10.629462 0.000000\n-5.026109 10.629462 0.000000\n0.000000 5.516543 13.013371\nEu Hf Mo O\n4 4 14 56\ndirect\n0.150276 0.125530 0.062963 Eu\n0.849724 0.874470 0.937037 Eu\n0.874470 0.849724 0.437037 Eu\n0.125530 0.150276 0.562963 Eu\n0.418676 0.349389 0.187901 Hf\n0.581324 0.650611 0.812099 Hf\n0.650611 0.581324 0.312099 Hf\n0.349389 0.418676 0.687901 Hf\n0.499927 0.987556 0.174920 Mo\n0.500073 0.012444 0.825080 Mo\n0.012444 0.500073 0.325080 Mo\n0.987556 0.499927 0.674920 Mo\n0.454837 0.230544 0.476387 Mo\n0.545163 0.769456 0.523613 Mo\n0.769456 0.545163 0.023613 Mo\n0.230544 0.454837 0.976387 Mo\n0.809644 0.069101 0.146950 Mo\n0.190356 0.930899 0.853050 Mo\n0.930899 0.190356 0.353050 Mo\n0.069101 0.809644 0.646950 Mo\n0.299237 0.700763 0.250000 Mo\n0.700763 0.299237 0.750000 Mo\n0.487524 0.126185 0.217697 O\n0.512476 0.873815 0.782303 O\n0.873815 0.512476 0.282303 O\n0.126185 0.487524 0.717697 O\n0.638073 0.075413 0.495392 O\n0.361927 0.924587 0.504608 O\n0.924587 0.361927 0.004608 O\n0.075413 0.638073 0.995392 O\n0.319333 0.058493 0.167352 O\n0.680667 0.941507 0.832648 O\n0.941507 0.680667 0.332648 O\n0.058493 0.319333 0.667352 O\n0.935768 0.026948 0.398081 O\n0.064232 0.973052 0.601919 O\n0.973052 0.064232 0.101919 O\n0.026948 0.935768 0.898081 O\n0.795987 0.999046 0.281412 O\n0.204013 0.000954 0.718588 O\n0.000954 0.204013 0.218588 O\n0.999046 0.795987 0.781412 O\n0.575217 0.805847 0.260828 O\n0.424783 0.194153 0.739172 O\n0.194153 0.424783 0.239172 O\n0.805847 0.575217 0.760828 O\n0.663555 0.828301 0.470707 O\n0.336445 0.171699 0.529293 O\n0.171699 0.336445 0.029293 O\n0.828301 0.663555 0.970707 O\n0.829249 0.948035 0.084601 O\n0.170751 0.051965 0.915399 O\n0.051965 0.170751 0.415399 O\n0.948035 0.829249 0.584601 O\n0.607869 0.962298 0.049617 O\n0.392131 0.037702 0.950383 O\n0.037702 0.392131 0.450383 O\n0.962298 0.607869 0.549617 O\n0.374476 0.390111 0.045383 O\n0.625524 0.609889 0.954617 O\n0.609889 0.625524 0.454617 O\n0.390111 0.374476 0.545383 O\n0.260962 0.863933 0.159206 O\n0.739038 0.136067 0.840794 O\n0.136067 0.739038 0.340794 O\n0.863933 0.260962 0.659206 O\n0.441403 0.638502 0.319199 O\n0.558597 0.361498 0.680801 O\n0.361498 0.558597 0.180801 O\n0.638502 0.441403 0.819199 O\n0.640354 0.263379 0.126380 O\n0.359646 0.736621 0.873620 O\n0.736621 0.359646 0.373620 O\n0.263379 0.640354 0.626380 O\n0.448897 0.302317 0.338826 O\n0.551103 0.697683 0.661174 O\n0.697683 0.551103 0.161174 O\n0.302317 0.448897 0.838826 O\n","nsites":78,"nelements":4,"elements":["Eu","Hf","Mo","O"],"chemical_system":"Eu-Hf-Mo-O","density":4.252565903998268,"density_atomic":0.056095963163137315,"volume":1390.4743871348057,"volume_molar":10.735426259616068,"formula_full":"Eu4 Hf4 Mo14 O56","formula_reduced":"Eu2Hf2(MoO4)7","formula_anonymous":"A2B2C7D28","energy":-687.45403429,"energy_per_atom":-8.813513260128206,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-604.15403429,"band_gap":0.3594,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0549002,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.450000Z","spacegroup":15},{"id":"mp-1102060","created_at":"2022-09-04T14:40:32.970136Z","structure_string":"Tm2 H4 Cl2 O4\n1.0\n0.000000 -3.548450 0.000000\n-5.956822 0.000000 1.674641\n-0.036994 0.000000 -6.634889\nTm H Cl O\n2 4 2 4\ndirect\n0.750000 0.718326 0.890959 Tm\n0.250000 0.281674 0.109041 Tm\n0.250000 0.873388 0.231179 H\n0.750000 0.126612 0.768821 H\n0.250000 0.357033 0.698234 H\n0.750000 0.642967 0.301766 H\n0.250000 0.770442 0.577970 Cl\n0.750000 0.229558 0.422030 Cl\n0.250000 0.894105 0.090375 O\n0.750000 0.105895 0.909625 O\n0.250000 0.452718 0.841192 O\n0.750000 0.547282 0.158808 O\n","nsites":12,"nelements":4,"elements":["Tm","H","Cl","O"],"chemical_system":"Cl-H-O-Tm","density":5.636656809965548,"density_atomic":0.08543071719059529,"volume":140.46469928641812,"volume_molar":7.049151590949013,"formula_full":"Tm2 H4 Cl2 O4","formula_reduced":"TmH2ClO2","formula_anonymous":"ABC2D2","energy":-75.24893311,"energy_per_atom":-6.270744425833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.27293311,"band_gap":4.955399999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.1e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.482000Z","spacegroup":11},{"id":"mp-600220","created_at":"2022-09-04T14:40:32.986644Z","structure_string":"In4 H24 C12 O36\n1.0\n6.869768 0.000000 0.000000\n0.000000 10.286000 0.000000\n0.000000 1.194877 11.151605\nIn H C O\n4 24 12 36\ndirect\n0.653863 0.238299 0.473928 In\n0.846137 0.238299 0.973928 In\n0.153863 0.761701 0.026072 In\n0.346137 0.761701 0.526072 In\n0.920756 0.382930 0.584656 H\n0.848953 0.514992 0.713718 H\n0.584027 0.590570 0.087042 H\n0.651047 0.514992 0.213718 H\n0.475912 0.237497 0.081548 H\n0.689318 0.902247 0.541196 H\n0.348953 0.485008 0.786282 H\n0.189318 0.097753 0.958804 H\n0.524088 0.762503 0.918452 H\n0.084027 0.409430 0.412958 H\n0.378187 0.143881 0.324382 H\n0.878187 0.856119 0.175618 H\n0.915973 0.590570 0.587042 H\n0.024088 0.237497 0.581548 H\n0.415973 0.409430 0.912958 H\n0.420756 0.617070 0.915344 H\n0.121813 0.143881 0.824382 H\n0.579244 0.382930 0.084656 H\n0.079244 0.617070 0.415344 H\n0.151047 0.485008 0.286282 H\n0.310682 0.097753 0.458804 H\n0.975912 0.762503 0.418452 H\n0.810682 0.902247 0.041196 H\n0.621813 0.856119 0.675618 H\n0.333757 0.991914 0.152153 C\n0.833757 0.008086 0.347847 C\n0.445613 0.472057 0.557294 C\n0.666243 0.008086 0.847847 C\n0.554387 0.527943 0.442706 C\n0.824213 0.128293 0.250965 C\n0.166243 0.991914 0.652153 C\n0.054387 0.472057 0.057294 C\n0.945613 0.527943 0.942706 C\n0.175787 0.871707 0.749035 C\n0.675787 0.128293 0.750965 C\n0.324213 0.871707 0.249035 C\n0.777658 0.031185 0.452535 O\n0.390506 0.100843 0.179744 O\n0.742001 0.234209 0.783174 O\n0.869875 0.826875 0.093370 O\n0.369875 0.173125 0.406630 O\n0.880498 0.109428 0.146854 O\n0.850146 0.448063 0.886064 O\n0.380498 0.890572 0.353146 O\n0.957085 0.648944 0.911346 O\n0.609494 0.899157 0.820256 O\n0.222342 0.968815 0.547465 O\n0.848497 0.513033 0.626026 O\n0.350146 0.551937 0.613936 O\n0.149854 0.551937 0.113936 O\n0.649854 0.448063 0.386064 O\n0.619502 0.109428 0.646854 O\n0.757999 0.234209 0.283174 O\n0.130125 0.173125 0.906630 O\n0.446095 0.693801 0.966251 O\n0.348497 0.486967 0.873974 O\n0.053905 0.693801 0.466251 O\n0.890506 0.899157 0.320256 O\n0.553905 0.306199 0.033749 O\n0.651503 0.513033 0.126026 O\n0.722342 0.031185 0.952535 O\n0.277658 0.968815 0.047465 O\n0.109494 0.100843 0.679744 O\n0.630125 0.826875 0.593370 O\n0.257999 0.765791 0.216826 O\n0.119502 0.890572 0.853146 O\n0.242001 0.765791 0.716826 O\n0.946095 0.306199 0.533749 O\n0.457085 0.351056 0.588654 O\n0.042915 0.351056 0.088654 O\n0.542915 0.648944 0.411346 O\n0.151503 0.486967 0.373974 O\n","nsites":76,"nelements":4,"elements":["In","H","C","O"],"chemical_system":"C-H-In-O","density":2.5362628008460777,"density_atomic":0.09644675578320766,"volume":787.9995483812049,"volume_molar":6.244005525221113,"formula_full":"In4 H24 C12 O36","formula_reduced":"InH6(CO3)3","formula_anonymous":"AB3C6D9","energy":-492.945142,"energy_per_atom":-6.486120289473684,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-468.213142,"band_gap":3.6248,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002618,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.320000Z","spacegroup":14},{"id":"mp-1175078","created_at":"2022-09-04T14:40:32.993768Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n2.930527 0.000000 0.000000\n-1.274716 4.898745 0.000000\n-1.133252 -2.001828 14.817814\nLi Mn Co O\n7 2 3 12\ndirect\n0.334398 0.578372 0.086286 Li\n0.001517 0.754048 0.250815 Li\n0.665000 0.909145 0.418015 Li\n0.348225 0.086587 0.587748 Li\n0.971227 0.240569 0.739392 Li\n0.678375 0.430256 0.916721 Li\n0.672352 0.671128 0.663966 Li\n0.991842 0.996520 0.001320 Mn\n0.323591 0.833125 0.826388 Mn\n0.674837 0.166405 0.168436 Co\n0.343060 0.339070 0.333985 Co\n0.992254 0.498942 0.504722 Co\n0.693727 0.279185 0.047404 O\n0.369060 0.439186 0.211723 O\n0.994665 0.603733 0.379987 O\n0.632308 0.744593 0.534530 O\n0.339934 0.961753 0.717909 O\n0.964323 0.092916 0.875621 O\n0.980013 0.892360 0.124804 O\n0.682344 0.061080 0.289167 O\n0.358121 0.246411 0.459022 O\n0.996957 0.374218 0.611855 O\n0.695476 0.580064 0.795646 O\n0.296394 0.720336 0.954539 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.1158116897158745,"density_atomic":0.11282271394081038,"volume":212.7231225140622,"volume_molar":5.337702444526698,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy":-157.34466616,"energy_per_atom":-6.5560277566666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.85066616,"band_gap":0.5476000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.999931,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.037000Z","spacegroup":1}]}