{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=82","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=80","results":[{"id":"mp-1199373","created_at":"2022-09-04T14:46:38.730929Z","structure_string":"Ag8 H64 C24 S16 Cl8 O32\n1.0\n18.445939 0.000000 0.000000\n0.000000 11.611841 0.000000\n-0.597620 0.000000 8.816930\nAg H C S Cl O\n8 64 24 16 8 32\ndirect\n0.236579 0.817735 0.304084 Ag\n0.763421 0.317735 0.195916 Ag\n0.763421 0.182265 0.695916 Ag\n0.236579 0.682265 0.804084 Ag\n0.257477 0.112489 0.965255 Ag\n0.742523 0.612489 0.534745 Ag\n0.742523 0.887511 0.034745 Ag\n0.257477 0.387511 0.465255 Ag\n0.059893 0.691541 0.157506 H\n0.940107 0.191541 0.342494 H\n0.940107 0.308459 0.842494 H\n0.059893 0.808459 0.657506 H\n0.076223 0.797960 0.016658 H\n0.923777 0.297960 0.483342 H\n0.923777 0.202040 0.983342 H\n0.076223 0.702040 0.516658 H\n0.064309 0.649241 0.962636 H\n0.935691 0.149241 0.537364 H\n0.935691 0.350759 0.037364 H\n0.064309 0.850759 0.462636 H\n0.248407 0.524029 0.141373 H\n0.751593 0.024029 0.358627 H\n0.751593 0.475971 0.858627 H\n0.248407 0.975971 0.641373 H\n0.158065 0.488361 0.063988 H\n0.841935 0.988361 0.436012 H\n0.841935 0.511639 0.936012 H\n0.158065 0.011639 0.563988 H\n0.423660 0.926998 0.337251 H\n0.576340 0.426998 0.162749 H\n0.576340 0.073002 0.662749 H\n0.423660 0.573002 0.837251 H\n0.408713 0.891224 0.140437 H\n0.591287 0.391224 0.359563 H\n0.591287 0.108776 0.859563 H\n0.408713 0.608776 0.640437 H\n0.438245 0.034157 0.194469 H\n0.561755 0.534157 0.305531 H\n0.561755 0.965843 0.805531 H\n0.438245 0.465843 0.694469 H\n0.421933 0.270795 0.056504 H\n0.578067 0.770795 0.443496 H\n0.578067 0.729205 0.943496 H\n0.421933 0.229205 0.556504 H\n0.446094 0.165621 0.919001 H\n0.553906 0.665621 0.580999 H\n0.553906 0.834379 0.080999 H\n0.446094 0.334379 0.419001 H\n0.462156 0.314862 0.885583 H\n0.537844 0.814862 0.614417 H\n0.537844 0.685138 0.114417 H\n0.462156 0.185138 0.385583 H\n0.251694 0.399254 0.908436 H\n0.748306 0.899254 0.591564 H\n0.748306 0.600746 0.091564 H\n0.251694 0.100746 0.408436 H\n0.343366 0.436581 0.975388 H\n0.656634 0.936581 0.524612 H\n0.656634 0.563419 0.024612 H\n0.343366 0.063419 0.475388 H\n0.088139 0.366975 0.218594 H\n0.911861 0.866975 0.281406 H\n0.911861 0.633025 0.781406 H\n0.088139 0.133025 0.718594 H\n0.059709 0.412292 0.399417 H\n0.940291 0.912292 0.100583 H\n0.940291 0.587708 0.600583 H\n0.059709 0.087708 0.899417 H\n0.037068 0.498412 0.235830 H\n0.962932 0.998412 0.264170 H\n0.962932 0.501588 0.764170 H\n0.037068 0.001588 0.735830 H\n0.190661 0.544210 0.142754 C\n0.809339 0.044210 0.357246 C\n0.809339 0.455790 0.857246 C\n0.190661 0.955790 0.642754 C\n0.308359 0.402882 0.879896 C\n0.691641 0.902882 0.620104 C\n0.691641 0.597118 0.120104 C\n0.308359 0.097118 0.379896 C\n0.085611 0.708341 0.051338 C\n0.914389 0.208341 0.448662 C\n0.914389 0.291659 0.948662 C\n0.085611 0.791659 0.551338 C\n0.405458 0.959934 0.224849 C\n0.594542 0.459934 0.275151 C\n0.594542 0.040066 0.775151 C\n0.405458 0.540066 0.724849 C\n0.425831 0.253194 0.935721 C\n0.574169 0.753194 0.564279 C\n0.574169 0.746806 0.064279 C\n0.425831 0.246806 0.435721 C\n0.078169 0.441243 0.290206 C\n0.921831 0.941243 0.209794 C\n0.921831 0.558757 0.709794 C\n0.078169 0.058757 0.790206 C\n0.183135 0.691979 0.074964 S\n0.816865 0.191979 0.425036 S\n0.816865 0.308021 0.925036 S\n0.183135 0.808021 0.574964 S\n0.336504 0.257041 0.837215 S\n0.663496 0.757041 0.662785 S\n0.663496 0.742959 0.162785 S\n0.336504 0.242959 0.337215 S\n0.310056 0.996359 0.222225 S\n0.689944 0.496359 0.277775 S\n0.689944 0.003641 0.777775 S\n0.310056 0.503641 0.722225 S\n0.161549 0.521258 0.332596 S\n0.838451 0.021258 0.167404 S\n0.838451 0.478742 0.667404 S\n0.161549 0.978742 0.832596 S\n0.381134 0.613929 0.263206 Cl\n0.618866 0.113929 0.236794 Cl\n0.618866 0.386071 0.736794 Cl\n0.381134 0.886071 0.763206 Cl\n0.112963 0.118625 0.234726 Cl\n0.887037 0.618625 0.265274 Cl\n0.887037 0.881375 0.765274 Cl\n0.112963 0.381375 0.734726 Cl\n0.172648 0.184179 0.172419 O\n0.827352 0.684179 0.327581 O\n0.827352 0.815821 0.827581 O\n0.172648 0.315821 0.672419 O\n0.043963 0.153840 0.159243 O\n0.956037 0.653840 0.340757 O\n0.956037 0.846160 0.840757 O\n0.043963 0.346160 0.659243 O\n0.362281 0.668002 0.116008 O\n0.637719 0.168002 0.383992 O\n0.637719 0.331998 0.883992 O\n0.362281 0.831998 0.616008 O\n0.322244 0.636236 0.364678 O\n0.677756 0.136236 0.135322 O\n0.677756 0.363764 0.635322 O\n0.322244 0.863764 0.864678 O\n0.113109 0.141626 0.397253 O\n0.886891 0.641626 0.102747 O\n0.886891 0.858374 0.602747 O\n0.113109 0.358374 0.897253 O\n0.387700 0.488872 0.242828 O\n0.612300 0.988872 0.257172 O\n0.612300 0.511128 0.757172 O\n0.387700 0.011128 0.742828 O\n0.449088 0.660554 0.330199 O\n0.550912 0.160554 0.169801 O\n0.550912 0.339446 0.669801 O\n0.449088 0.839446 0.830199 O\n0.124757 0.994829 0.209434 O\n0.875243 0.494829 0.290566 O\n0.875243 0.005171 0.790566 O\n0.124757 0.505171 0.709434 O\n","nsites":152,"nelements":6,"elements":["Ag","H","C","S","Cl","O"],"chemical_system":"Ag-C-Cl-H-O-S","density":2.219628782143774,"density_atomic":0.08048674172311257,"volume":1888.5097936117804,"volume_molar":7.482152502479402,"formula_full":"Ag8 H64 C24 S16 Cl8 O32","formula_reduced":"AgH8C3S2ClO4","formula_anonymous":"ABC2D3E4F8","energy":-752.78092447,"energy_per_atom":-4.9525060820394735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-717.83692447,"band_gap":3.3939,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2156351,"is_theoretical":false,"updated_at":"2021-11-28T01:37:43.067000Z","spacegroup":14},{"id":"mp-772838","created_at":"2022-09-04T14:46:38.445145Z","structure_string":"Er2 Re6 O24\n1.0\n9.143305 -4.474876 0.000000\n9.143305 4.474876 0.000000\n6.953231 0.000000 7.434859\nEr Re O\n2 6 24\ndirect\n0.939811 0.939811 0.939811 Er\n0.439811 0.439811 0.439811 Er\n0.803860 0.540787 0.159535 Re\n0.540787 0.159535 0.803860 Re\n0.159535 0.803860 0.540787 Re\n0.659535 0.040787 0.303860 Re\n0.303860 0.659535 0.040787 Re\n0.040787 0.303860 0.659535 Re\n0.914363 0.512765 0.545797 O\n0.545797 0.914363 0.512765 O\n0.512765 0.545797 0.914363 O\n0.605494 0.086854 0.142465 O\n0.807021 0.744399 0.100019 O\n0.012765 0.414363 0.045797 O\n0.744399 0.100019 0.807021 O\n0.729069 0.412230 0.392973 O\n0.142465 0.605494 0.086854 O\n0.086854 0.142465 0.605494 O\n0.412230 0.392973 0.729069 O\n0.392973 0.729069 0.412230 O\n0.642465 0.586854 0.105494 O\n0.414363 0.045797 0.012765 O\n0.586854 0.105494 0.642465 O\n0.100019 0.807021 0.744399 O\n0.912230 0.229069 0.892973 O\n0.892973 0.912230 0.229069 O\n0.045797 0.012765 0.414363 O\n0.600019 0.244399 0.307021 O\n0.105494 0.642465 0.586854 O\n0.307021 0.600019 0.244399 O\n0.244399 0.307021 0.600019 O\n0.229069 0.892973 0.912230 O\n","nsites":32,"nelements":3,"elements":["Er","Re","O"],"chemical_system":"Er-O-Re","density":5.0104259567814715,"density_atomic":0.05259724944846042,"volume":608.396833210005,"volume_molar":11.449535523527787,"formula_full":"Er2 Re6 O24","formula_reduced":"Er(ReO4)3","formula_anonymous":"AB3C12","energy":-279.87750651,"energy_per_atom":-8.7461720784375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-263.38950651,"band_gap":3.5822,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002002,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.265000Z","spacegroup":161},{"id":"mp-1201193","created_at":"2022-09-04T14:46:38.460021Z","structure_string":"Tm4 Fe20 P12\n1.0\n3.630654 0.000000 0.000000\n0.000000 10.224457 0.000000\n0.000000 0.000000 11.742418\nTm Fe P\n4 20 12\ndirect\n0.250000 0.581322 0.704834 Tm\n0.250000 0.918678 0.204834 Tm\n0.750000 0.418678 0.295166 Tm\n0.750000 0.081322 0.795166 Tm\n0.250000 0.706934 0.987594 Fe\n0.250000 0.793066 0.487594 Fe\n0.750000 0.293066 0.012406 Fe\n0.750000 0.206934 0.512406 Fe\n0.250000 0.405508 0.489851 Fe\n0.250000 0.094492 0.989851 Fe\n0.750000 0.594492 0.510149 Fe\n0.750000 0.905508 0.010149 Fe\n0.250000 0.219416 0.176253 Fe\n0.250000 0.280584 0.676253 Fe\n0.750000 0.780584 0.823747 Fe\n0.750000 0.719416 0.323747 Fe\n0.250000 0.877259 0.700112 Fe\n0.250000 0.622741 0.200112 Fe\n0.750000 0.122741 0.299888 Fe\n0.750000 0.377259 0.799888 Fe\n0.250000 0.463331 0.932825 Fe\n0.250000 0.036669 0.432825 Fe\n0.750000 0.536669 0.067175 Fe\n0.750000 0.963331 0.567175 Fe\n0.250000 0.421257 0.113559 P\n0.250000 0.078743 0.613559 P\n0.750000 0.578743 0.886441 P\n0.750000 0.921257 0.386441 P\n0.250000 0.265751 0.870486 P\n0.250000 0.234249 0.370486 P\n0.750000 0.734249 0.129514 P\n0.750000 0.765751 0.629514 P\n0.250000 0.600841 0.394580 P\n0.250000 0.899159 0.894580 P\n0.750000 0.399159 0.605420 P\n0.750000 0.100841 0.105420 P\n","nsites":36,"nelements":3,"elements":["Tm","Fe","P"],"chemical_system":"Fe-P-Tm","density":8.244955511300132,"density_atomic":0.08258855148149959,"volume":435.89576707934214,"volume_molar":7.291737961222146,"formula_full":"Tm4 Fe20 P12","formula_reduced":"TmFe5P3","formula_anonymous":"AB3C5","energy":-279.30449907,"energy_per_atom":-7.758458307500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-279.30449907,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.8918188,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.690000Z","spacegroup":62},{"id":"mp-1017120","created_at":"2022-09-04T14:46:38.640554Z","structure_string":"Hf2 Mg12 C2\n1.0\n4.728022 0.000000 0.000000\n0.000000 5.430662 0.000000\n0.000000 0.000000 12.068604\nHf Mg C\n2 12 2\ndirect\n0.500000 0.500000 0.187567 Hf\n0.500000 0.000000 0.687567 Hf\n0.500000 0.252782 0.447649 Mg\n0.500000 0.747218 0.447649 Mg\n0.000000 0.751673 0.078564 Mg\n0.000000 0.248327 0.078564 Mg\n0.000000 0.000000 0.295340 Mg\n0.000000 0.500000 0.342848 Mg\n0.500000 0.752782 0.947649 Mg\n0.500000 0.247218 0.947649 Mg\n0.000000 0.251673 0.578564 Mg\n0.000000 0.748327 0.578564 Mg\n0.000000 0.500000 0.795340 Mg\n0.000000 0.000000 0.842848 Mg\n0.500000 0.000000 0.121815 C\n0.500000 0.500000 0.621815 C\n","nsites":16,"nelements":3,"elements":["Hf","Mg","C"],"chemical_system":"C-Hf-Mg","density":3.6045935798013153,"density_atomic":0.051633395173636944,"volume":309.8769690854903,"volume_molar":11.663267038218695,"formula_full":"Hf2 Mg12 C2","formula_reduced":"HfMg6C","formula_anonymous":"ABC6","energy":-48.88673225,"energy_per_atom":-3.055420765625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.88673225,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.013569,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.335000Z","spacegroup":38},{"id":"mp-1215217","created_at":"2022-09-04T14:46:38.659580Z","structure_string":"Zr1 Nb1 Cr4\n1.0\n0.000000 3.527120 3.527120\n3.527120 0.000000 3.527120\n3.527120 3.527120 0.000000\nZr Nb Cr\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Nb\n0.624807 0.624807 0.125579 Cr\n0.624807 0.125579 0.624807 Cr\n0.125579 0.624807 0.624807 Cr\n0.624807 0.624807 0.624807 Cr\n","nsites":6,"nelements":3,"elements":["Zr","Nb","Cr"],"chemical_system":"Cr-Nb-Zr","density":7.419448210767496,"density_atomic":0.06836920786645094,"volume":87.75880527561627,"volume_molar":8.808264638319864,"formula_full":"Zr1 Nb1 Cr4","formula_reduced":"ZrNbCr4","formula_anonymous":"ABC4","energy":-57.48837307,"energy_per_atom":-9.581395511666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.48837307,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042924,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.722000Z","spacegroup":216},{"id":"mp-1110837","created_at":"2022-09-04T14:46:38.722663Z","structure_string":"K2 Li1 Mo1 F6\n1.0\n5.893614 0.000000 0.000000\n2.946807 5.104020 0.000000\n2.946807 1.701340 4.812116\nK Li Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.249159 0.750841 0.249159 F\n0.750841 0.750841 0.249159 F\n0.750841 0.249159 0.750841 F\n0.750841 0.249159 0.249159 F\n0.249159 0.750841 0.750841 F\n0.249159 0.249159 0.750841 F\n","nsites":10,"nelements":4,"elements":["K","Li","Mo","F"],"chemical_system":"F-K-Li-Mo","density":3.3848629946618334,"density_atomic":0.06908278799403351,"volume":144.75385679083584,"volume_molar":8.717281011472954,"formula_full":"K2 Li1 Mo1 F6","formula_reduced":"K2LiMoF6","formula_anonymous":"ABC2D6","energy":-56.46236603,"energy_per_atom":-5.646236603,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.48836603,"band_gap":4.4161,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000105,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.555000Z","spacegroup":225},{"id":"mp-1200588","created_at":"2022-09-04T14:46:38.857017Z","structure_string":"Zn6 P8 H48 C12 N4 O24\n1.0\n0.000000 -8.698815 0.000000\n-8.332334 -4.349408 0.000000\n-1.016205 -4.349408 -15.855303\nZn P H C N O\n6 8 48 12 4 24\ndirect\n0.658146 0.750000 0.250000 Zn\n0.341854 0.250000 0.750000 Zn\n0.486934 0.748045 0.520744 Zn\n0.755723 0.751955 0.979256 Zn\n0.513066 0.251955 0.479256 Zn\n0.244277 0.248045 0.020744 Zn\n0.413172 0.607383 0.378070 P\n0.398625 0.892617 0.121930 P\n0.586828 0.392617 0.621930 P\n0.601375 0.107383 0.878070 P\n0.736303 0.900122 0.395323 P\n0.031749 0.599878 0.104677 P\n0.263697 0.099878 0.604677 P\n0.968251 0.400122 0.895323 P\n0.923867 0.824729 0.374021 H\n0.122618 0.675271 0.125979 H\n0.076133 0.175271 0.625979 H\n0.877382 0.324729 0.874021 H\n0.272375 0.690303 0.334720 H\n0.297398 0.809697 0.165280 H\n0.727625 0.309697 0.665280 H\n0.702602 0.190303 0.834720 H\n0.787826 0.765204 0.567966 H\n0.120996 0.734796 0.932034 H\n0.212174 0.234796 0.432034 H\n0.879004 0.265204 0.067966 H\n0.816165 0.718724 0.748930 H\n0.283820 0.781276 0.751070 H\n0.183835 0.281276 0.251070 H\n0.716180 0.218724 0.248930 H\n0.627636 0.863679 0.707038 H\n0.198353 0.636321 0.792962 H\n0.372364 0.136321 0.292962 H\n0.801647 0.363679 0.207038 H\n0.695028 0.652688 0.703696 H\n0.051412 0.847312 0.796304 H\n0.304972 0.347312 0.296304 H\n0.948588 0.152688 0.203696 H\n0.104058 0.560761 0.642771 H\n0.307589 0.939239 0.857229 H\n0.895942 0.439239 0.357229 H\n0.692411 0.060761 0.142771 H\n0.964095 0.488372 0.618690 H\n0.071157 0.011628 0.881310 H\n0.035905 0.511628 0.381310 H\n0.928843 0.988372 0.118690 H\n0.083843 0.573822 0.536170 H\n0.193834 0.926178 0.963830 H\n0.916157 0.426178 0.463830 H\n0.806166 0.073822 0.036170 H\n0.008508 0.863131 0.541461 H\n0.413100 0.636869 0.958539 H\n0.991492 0.136869 0.458539 H\n0.586900 0.363131 0.041461 H\n0.806418 0.987452 0.609583 H\n0.403453 0.512548 0.890417 H\n0.193582 0.012548 0.390417 H\n0.596547 0.487452 0.109583 H\n0.996718 0.847175 0.652051 H\n0.495943 0.652825 0.847949 H\n0.003282 0.152825 0.347949 H\n0.504057 0.347175 0.152051 H\n0.740955 0.744672 0.699944 C\n0.185571 0.755328 0.800056 C\n0.259045 0.255328 0.300056 C\n0.814429 0.244672 0.199944 C\n0.013710 0.579708 0.602289 C\n0.195706 0.920292 0.897711 C\n0.986290 0.420292 0.397711 C\n0.804294 0.079708 0.102289 C\n0.921369 0.869438 0.603716 C\n0.394523 0.630562 0.896284 C\n0.078631 0.130562 0.396284 C\n0.605477 0.369438 0.103716 C\n0.859511 0.741669 0.615232 N\n0.216411 0.758331 0.884768 N\n0.140489 0.258331 0.384768 N\n0.783589 0.241669 0.115232 N\n0.693748 0.800376 0.476560 O\n0.970684 0.699624 0.023440 O\n0.306252 0.199624 0.523440 O\n0.029316 0.300376 0.976560 O\n0.666858 0.890534 0.321175 O\n0.878567 0.609466 0.178825 O\n0.333142 0.109466 0.678825 O\n0.121433 0.390534 0.821175 O\n0.360476 0.718228 0.449292 O\n0.527995 0.781772 0.050708 O\n0.639524 0.281772 0.550708 O\n0.472005 0.218228 0.949292 O\n0.587787 0.587096 0.316134 O\n0.491017 0.912904 0.183866 O\n0.412213 0.412904 0.683866 O\n0.508983 0.087096 0.816134 O\n0.592113 0.554648 0.593084 O\n0.739845 0.945352 0.906916 O\n0.407887 0.445352 0.406916 O\n0.260155 0.054648 0.093084 O\n0.314226 0.926223 0.590912 O\n0.831360 0.573777 0.909088 O\n0.685774 0.073777 0.409088 O\n0.168640 0.426223 0.090912 O\n","nsites":102,"nelements":6,"elements":["Zn","P","H","C","N","O"],"chemical_system":"C-H-N-O-P-Zn","density":1.8390619430315667,"density_atomic":0.08875623285768938,"volume":1149.2150659835406,"volume_molar":6.785034206730952,"formula_full":"Zn6 P8 H48 C12 N4 O24","formula_reduced":"Zn3P4H24C6(NO6)2","formula_anonymous":"A2B3C4D6E12F24","energy":-578.85165678,"energy_per_atom":-5.675016242941176,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-562.36365678,"band_gap":4.9593,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2100927,"is_theoretical":false,"updated_at":"2021-11-28T01:37:42.544000Z","spacegroup":15},{"id":"mp-1184796","created_at":"2022-09-04T14:46:38.958738Z","structure_string":"H6 F4\n1.0\n-5.401238 0.047430 0.029391\n2.716311 -3.390825 -0.371274\n-2.700966 1.364799 6.089753\nH F\n6 4\ndirect\n0.775456 0.306858 0.208347 H\n0.769213 0.826056 0.241845 H\n0.270270 0.428928 0.458475 H\n0.320471 0.608137 0.564723 H\n0.182479 0.166987 0.751844 H\n0.675856 0.683041 0.786982 H\n0.780279 0.454687 0.130657 F\n0.777441 0.091466 0.314879 F\n0.993329 0.910548 0.675133 F\n0.455220 0.523290 0.867106 F\n","nsites":10,"nelements":2,"elements":["H","F"],"chemical_system":"F-H","density":1.2626110801995452,"density_atomic":0.09268046736513219,"volume":107.89760004773296,"volume_molar":6.497745351536306,"formula_full":"H6 F4","formula_reduced":"H3F2","formula_anonymous":"A2B3","energy":-42.09631617,"energy_per_atom":-4.209631617,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.24831617,"band_gap":8.0745,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002166,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.906000Z","spacegroup":1},{"id":"mp-36821","created_at":"2022-09-04T14:46:38.989870Z","structure_string":"Nd4 Cd2 Se8\n1.0\n-4.413212 4.413212 4.635068\n4.413212 -4.413212 4.635068\n4.413212 4.413212 -4.635068\nNd Cd Se\n4 2 8\ndirect\n0.375000 0.759300 0.884300 Nd\n0.509300 0.625000 0.384300 Nd\n0.875000 0.490700 0.115700 Nd\n0.240700 0.125000 0.615700 Nd\n0.750000 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.245700 0.869317 0.237389 Se\n0.758311 0.881928 0.262611 Se\n0.118072 0.380683 0.876383 Se\n0.991689 0.754300 0.623617 Se\n0.619317 0.495700 0.737389 Se\n0.504300 0.241689 0.123617 Se\n0.130683 0.368072 0.376383 Se\n0.631928 0.008311 0.762611 Se\n","nsites":14,"nelements":3,"elements":["Nd","Cd","Se"],"chemical_system":"Cd-Nd-Se","density":6.591921451665124,"density_atomic":0.03877058496118742,"volume":361.09849810146443,"volume_molar":15.53275702708294,"formula_full":"Nd4 Cd2 Se8","formula_reduced":"Nd2CdSe4","formula_anonymous":"AB2C4","energy":-72.64292717,"energy_per_atom":-5.1887805121428565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.86692717,"band_gap":0.9937000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005895,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.968000Z","spacegroup":122},{"id":"mp-1078920","created_at":"2022-09-04T14:46:39.012300Z","structure_string":"La4 Cu4\n1.0\n4.729398 0.000000 0.000000\n0.000000 5.697523 0.000000\n0.000000 0.000000 7.437870\nLa Cu\n4 4\ndirect\n0.250000 0.364322 0.679810 La\n0.250000 0.135678 0.179810 La\n0.750000 0.635678 0.320190 La\n0.750000 0.864322 0.820190 La\n0.250000 0.884462 0.533919 Cu\n0.250000 0.615538 0.033919 Cu\n0.750000 0.115538 0.466081 Cu\n0.750000 0.384462 0.966081 Cu\n","nsites":8,"nelements":2,"elements":["La","Cu"],"chemical_system":"Cu-La","density":6.70948968371372,"density_atomic":0.039916224186522506,"volume":200.4197582070189,"volume_molar":15.086949937597915,"formula_full":"La4 Cu4","formula_reduced":"LaCu","formula_anonymous":"AB","energy":-37.48821612,"energy_per_atom":-4.686027015,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.48821612,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000952,"is_theoretical":false,"updated_at":"2021-11-28T01:37:42.017000Z","spacegroup":62},{"id":"mp-31303","created_at":"2022-09-04T14:46:39.034318Z","structure_string":"Pr8 Se6 N4\n1.0\n5.156387 6.640560 0.000000\n-5.156387 6.640560 0.000000\n0.000000 0.025797 6.556759\nPr Se N\n8 6 4\ndirect\n0.585259 0.744308 0.572158 Pr\n0.255692 0.414741 0.927842 Pr\n0.414741 0.255692 0.427842 Pr\n0.744308 0.585259 0.072158 Pr\n0.943129 0.309861 0.530097 Pr\n0.690139 0.056871 0.969903 Pr\n0.056871 0.690139 0.469903 Pr\n0.309861 0.943129 0.030097 Pr\n0.984312 0.247063 0.035134 Se\n0.402734 0.597266 0.250000 Se\n0.752937 0.015688 0.464866 Se\n0.015688 0.752937 0.964866 Se\n0.597266 0.402734 0.750000 Se\n0.247063 0.984312 0.535134 Se\n0.829540 0.581401 0.414785 N\n0.581401 0.829540 0.914785 N\n0.170460 0.418599 0.585215 N\n0.418599 0.170460 0.085215 N\n","nsites":18,"nelements":3,"elements":["Pr","Se","N"],"chemical_system":"N-Pr-Se","density":6.1279436034915316,"density_atomic":0.0400869559193078,"volume":449.0238679193483,"volume_molar":15.022694095610909,"formula_full":"Pr8 Se6 N4","formula_reduced":"Pr4Se3N2","formula_anonymous":"A2B3C4","energy":-127.57256211,"energy_per_atom":-7.087364561666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.29656211,"band_gap":1.3742,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023585,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.070000Z","spacegroup":15},{"id":"mp-766542","created_at":"2022-09-04T14:46:35.048295Z","structure_string":"Li4 Fe4 Si4 O16\n1.0\n5.101228 0.000000 0.000000\n0.000000 6.381028 0.000000\n0.000000 0.000000 10.844510\nLi Fe Si O\n4 4 4 16\ndirect\n0.173451 0.710216 0.171410 Li\n0.326549 0.710216 0.671410 Li\n0.673451 0.210216 0.328590 Li\n0.826549 0.210216 0.828590 Li\n0.175790 0.961471 0.415374 Fe\n0.324210 0.961471 0.915374 Fe\n0.675790 0.461471 0.084626 Fe\n0.824210 0.461471 0.584626 Fe\n0.171607 0.207769 0.164881 Si\n0.328393 0.207769 0.664881 Si\n0.671607 0.707769 0.335119 Si\n0.828393 0.707769 0.835119 Si\n0.148767 0.737307 0.836146 O\n0.219647 0.179568 0.807328 O\n0.190545 0.422430 0.609105 O\n0.243657 0.995650 0.084027 O\n0.256343 0.995650 0.584027 O\n0.309455 0.422430 0.109105 O\n0.280353 0.179568 0.307328 O\n0.351233 0.737307 0.336146 O\n0.648767 0.237307 0.663854 O\n0.719647 0.679568 0.692672 O\n0.690545 0.922430 0.890895 O\n0.743657 0.495650 0.415973 O\n0.756343 0.495650 0.915973 O\n0.809455 0.922430 0.390895 O\n0.780353 0.679568 0.192672 O\n0.851233 0.237307 0.163854 O\n","nsites":28,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":2.914060369351726,"density_atomic":0.07932000130049663,"volume":353.00049849879025,"volume_molar":7.5922096082495845,"formula_full":"Li4 Fe4 Si4 O16","formula_reduced":"LiFeSiO4","formula_anonymous":"ABCD4","energy":-212.28863321,"energy_per_atom":-7.581736900357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.27263321,"band_gap":2.8705,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.970000Z","spacegroup":33}]}