{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=43","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=41","results":[{"id":"mp-1198359","created_at":"2022-09-04T14:44:25.616224Z","structure_string":"Sn4 H72 W12 C16 N24 O48\n1.0\n0.000000 -10.468620 -0.000000\n9.970025 -5.234310 -6.969731\n9.926376 -5.234310 13.137206\nSn H W C N O\n4 72 12 16 24 48\ndirect\n0.135804 0.182695 0.909734 Sn\n0.228232 0.317305 0.590266 Sn\n0.864196 0.817305 0.090266 Sn\n0.771768 0.682695 0.409734 Sn\n0.822491 0.147013 0.657431 H\n0.626935 0.352987 0.842569 H\n0.177509 0.852987 0.342569 H\n0.373065 0.647013 0.157431 H\n0.008582 0.112928 0.648895 H\n0.770405 0.387072 0.851105 H\n0.991418 0.887072 0.351105 H\n0.229595 0.612928 0.148895 H\n0.704451 0.029545 0.740265 H\n0.474261 0.470455 0.759735 H\n0.295549 0.970455 0.259735 H\n0.525739 0.529545 0.240265 H\n0.800282 0.923762 0.798468 H\n0.522512 0.576238 0.701532 H\n0.199718 0.076238 0.201532 H\n0.477488 0.423762 0.298468 H\n0.130575 0.965314 0.719659 H\n0.815548 0.534686 0.780341 H\n0.869425 0.034686 0.280341 H\n0.184452 0.465314 0.219659 H\n0.048994 0.876798 0.779067 H\n0.704859 0.623202 0.720933 H\n0.951006 0.123202 0.220933 H\n0.295141 0.376798 0.279067 H\n0.290840 0.723060 0.873225 H\n0.887125 0.776940 0.626775 H\n0.709160 0.276940 0.126775 H\n0.112875 0.223060 0.373225 H\n0.340418 0.822476 0.806658 H\n0.969552 0.677524 0.693342 H\n0.659582 0.177524 0.193342 H\n0.030448 0.322476 0.306658 H\n0.424775 0.632180 0.967244 H\n0.024199 0.867820 0.532756 H\n0.575225 0.367820 0.032756 H\n0.975801 0.132180 0.467244 H\n0.577225 0.660286 0.965780 H\n0.203291 0.839714 0.534220 H\n0.422775 0.339714 0.034220 H\n0.796709 0.160286 0.465780 H\n0.634600 0.799509 0.876044 H\n0.310152 0.700491 0.623956 H\n0.365400 0.200491 0.123956 H\n0.689848 0.299509 0.376044 H\n0.531789 0.863762 0.808155 H\n0.203706 0.636238 0.691845 H\n0.468211 0.136238 0.191845 H\n0.796294 0.363762 0.308155 H\n0.901028 0.199659 0.866346 H\n0.967033 0.300341 0.633654 H\n0.098972 0.800341 0.133654 H\n0.032967 0.699659 0.366346 H\n0.963769 0.074425 0.922956 H\n0.961151 0.425575 0.577044 H\n0.036231 0.925575 0.077044 H\n0.038849 0.574425 0.422956 H\n0.856991 0.200880 0.975845 H\n0.033716 0.299120 0.524155 H\n0.143009 0.799120 0.024155 H\n0.966284 0.700880 0.475845 H\n0.330006 0.110111 0.998099 H\n0.438216 0.389889 0.501901 H\n0.669994 0.889889 0.001901 H\n0.561784 0.610111 0.498099 H\n0.267165 0.003620 0.994900 H\n0.265685 0.496380 0.505100 H\n0.732835 0.996380 0.005100 H\n0.734315 0.503620 0.494900 H\n0.394307 0.033075 0.907447 H\n0.334829 0.466925 0.592553 H\n0.605693 0.966925 0.092553 H\n0.665171 0.533075 0.407447 H\n0.868666 0.464063 0.981008 W\n0.313737 0.035937 0.518992 W\n0.131334 0.535937 0.018992 W\n0.686263 0.964063 0.481008 W\n0.958269 0.683893 0.882619 W\n0.524781 0.816107 0.617381 W\n0.041731 0.316107 0.117381 W\n0.475219 0.183893 0.382619 W\n0.132413 0.435402 0.799389 W\n0.367205 0.064598 0.700611 W\n0.867587 0.564598 0.200611 W\n0.632795 0.935402 0.299389 W\n0.916223 0.012725 0.726208 C\n0.655156 0.487275 0.773792 C\n0.083777 0.987275 0.273792 C\n0.344844 0.512725 0.226208 C\n0.459088 0.755677 0.888677 C\n0.103443 0.744323 0.611323 C\n0.540912 0.244323 0.111323 C\n0.896557 0.255677 0.388677 C\n0.937777 0.163384 0.920638 C\n0.021799 0.336616 0.579362 C\n0.062223 0.836616 0.079362 C\n0.978201 0.663384 0.420638 C\n0.302501 0.068297 0.959397 C\n0.330195 0.431703 0.540603 C\n0.697499 0.931703 0.040603 C\n0.669805 0.568297 0.459397 C\n0.914637 0.099510 0.674133 N\n0.688279 0.400490 0.825867 N\n0.085363 0.900490 0.325867 N\n0.311721 0.599510 0.174133 N\n0.796935 0.990545 0.758734 N\n0.546214 0.509455 0.741266 N\n0.203065 0.009455 0.241266 N\n0.453786 0.490545 0.258734 N\n0.038788 0.949622 0.746074 N\n0.734484 0.550378 0.753926 N\n0.961212 0.050378 0.253926 N\n0.265516 0.449622 0.246074 N\n0.348883 0.772859 0.857777 N\n0.979519 0.727141 0.642223 N\n0.651117 0.227141 0.142223 N\n0.020481 0.272859 0.357777 N\n0.481567 0.683374 0.951296 N\n0.116237 0.816626 0.548704 N\n0.518433 0.316626 0.048704 N\n0.883763 0.183374 0.451296 N\n0.542419 0.814801 0.859004 N\n0.216225 0.685199 0.640996 N\n0.457581 0.185199 0.140996 N\n0.783775 0.314801 0.359004 N\n0.711030 0.433498 0.023488 O\n0.168016 0.066502 0.476513 O\n0.288970 0.566502 0.976513 O\n0.831984 0.933498 0.523487 O\n0.104275 0.728613 0.832952 O\n0.665839 0.771387 0.667048 O\n0.895725 0.271387 0.167048 O\n0.334161 0.228613 0.332952 O\n0.288005 0.470310 0.762719 O\n0.521035 0.029690 0.737281 O\n0.711995 0.529690 0.237281 O\n0.478965 0.970310 0.262719 O\n0.792791 0.612676 0.954172 O\n0.359639 0.887324 0.545828 O\n0.207209 0.387324 0.045828 O\n0.640361 0.112676 0.454172 O\n0.932692 0.413188 0.874864 O\n0.220744 0.086812 0.625136 O\n0.067308 0.586812 0.125136 O\n0.779256 0.913188 0.374864 O\n0.986989 0.591990 0.795565 O\n0.374544 0.908010 0.704435 O\n0.013011 0.408010 0.204435 O\n0.625456 0.091990 0.295565 O\n0.078328 0.510384 0.921242 O\n0.509954 0.989616 0.578758 O\n0.921672 0.489616 0.078758 O\n0.490046 0.010384 0.421242 O\n0.023155 0.311760 0.006686 O\n0.341601 0.188240 0.493314 O\n0.976845 0.688240 0.993314 O\n0.658399 0.811760 0.506686 O\n0.807706 0.805121 0.870206 O\n0.483033 0.694879 0.629794 O\n0.192294 0.194879 0.129794 O\n0.516967 0.305121 0.370206 O\n0.111730 0.398048 0.708077 O\n0.217856 0.101952 0.791923 O\n0.888270 0.601952 0.291923 O\n0.782144 0.898048 0.208077 O\n0.217811 0.295984 0.846819 O\n0.360614 0.204016 0.653181 O\n0.782189 0.704016 0.153181 O\n0.639386 0.795984 0.346819 O\n0.520850 0.258269 0.839775 O\n0.618894 0.241731 0.660225 O\n0.479150 0.741731 0.160225 O\n0.381106 0.758269 0.339775 O\n","nsites":176,"nelements":6,"elements":["Sn","H","W","C","N","O"],"chemical_system":"C-H-N-O-Sn-W","density":3.2092983756224958,"density_atomic":0.08399252545677045,"volume":2095.4245516832834,"volume_molar":7.169853183066266,"formula_full":"Sn4 H72 W12 C16 N24 O48","formula_reduced":"SnH18W3C4(NO2)6","formula_anonymous":"AB3C4D6E12F18","energy":-1157.79853316,"energy_per_atom":-6.578400756590909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1062.90253316,"band_gap":0.1794,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.9974519,"is_theoretical":false,"updated_at":"2021-11-28T01:36:39.057000Z","spacegroup":15},{"id":"mp-707391","created_at":"2022-09-04T14:40:59.683682Z","structure_string":"Na12 As4 H96 Se4 O60\n1.0\n9.308699 0.000000 0.000000\n0.000000 13.140788 0.000000\n0.000000 0.000000 13.927963\nNa As H Se O\n12 4 96 4 60\ndirect\n0.749031 0.008384 0.979476 Na\n0.750969 0.991616 0.479476 Na\n0.249031 0.491616 0.020524 Na\n0.250969 0.508384 0.520524 Na\n0.741102 0.212444 0.100310 Na\n0.758898 0.787556 0.600310 Na\n0.241102 0.287556 0.899690 Na\n0.258898 0.712444 0.399690 Na\n0.745043 0.218073 0.390798 Na\n0.754957 0.781927 0.890798 Na\n0.245043 0.281927 0.609202 Na\n0.254957 0.718073 0.109202 Na\n0.748091 0.540665 0.272872 As\n0.751909 0.459335 0.772872 As\n0.248091 0.959335 0.727128 As\n0.251909 0.040665 0.227128 As\n0.989817 0.084940 0.057681 H\n0.510183 0.915060 0.557681 H\n0.489817 0.415060 0.942319 H\n0.010183 0.584940 0.442319 H\n0.959589 0.038364 0.157483 H\n0.540411 0.961636 0.657483 H\n0.459589 0.461636 0.842517 H\n0.040411 0.538364 0.342517 H\n0.012286 0.359463 0.025894 H\n0.487714 0.640537 0.525894 H\n0.512286 0.140537 0.974106 H\n0.987714 0.859463 0.474106 H\n0.971206 0.414408 0.929444 H\n0.528794 0.585592 0.429444 H\n0.471206 0.085592 0.070556 H\n0.028794 0.914408 0.570556 H\n0.778711 0.034059 0.290911 H\n0.721289 0.965941 0.790911 H\n0.278711 0.465941 0.709089 H\n0.221289 0.534059 0.209089 H\n0.945158 0.042836 0.311672 H\n0.554842 0.957164 0.811672 H\n0.445158 0.457164 0.688328 H\n0.054842 0.542836 0.188328 H\n0.498951 0.119737 0.486750 H\n0.001049 0.880263 0.986750 H\n0.998951 0.380263 0.513250 H\n0.501049 0.619737 0.013250 H\n0.478690 0.065283 0.384432 H\n0.021310 0.934717 0.884432 H\n0.978690 0.434717 0.615568 H\n0.521310 0.565283 0.115568 H\n0.513902 0.246121 0.254171 H\n0.986098 0.753879 0.754171 H\n0.013902 0.253879 0.745829 H\n0.486098 0.746121 0.245829 H\n0.608721 0.343690 0.234670 H\n0.891279 0.656310 0.734670 H\n0.108721 0.156310 0.765330 H\n0.391279 0.843690 0.265330 H\n0.709930 0.402846 0.978744 H\n0.790070 0.597154 0.478744 H\n0.209930 0.097154 0.021256 H\n0.290070 0.902846 0.521256 H\n0.653460 0.418975 0.086443 H\n0.846540 0.581025 0.586443 H\n0.153460 0.081025 0.913557 H\n0.346540 0.918975 0.413557 H\n0.937191 0.388914 0.346012 H\n0.562809 0.611086 0.846012 H\n0.437191 0.111086 0.653988 H\n0.062809 0.888914 0.153988 H\n0.034152 0.292821 0.365476 H\n0.465848 0.707179 0.865476 H\n0.534152 0.207179 0.634524 H\n0.965848 0.792821 0.134524 H\n0.664444 0.424367 0.448524 H\n0.835556 0.575633 0.948524 H\n0.164444 0.075633 0.551476 H\n0.335556 0.924367 0.051476 H\n0.664462 0.361533 0.547922 H\n0.835538 0.638467 0.047922 H\n0.164462 0.138467 0.452078 H\n0.335538 0.861533 0.952078 H\n0.554264 0.822248 0.437062 H\n0.945736 0.177752 0.937062 H\n0.054264 0.677752 0.562938 H\n0.445736 0.322248 0.062938 H\n0.687874 0.789857 0.375604 H\n0.812126 0.210143 0.875604 H\n0.187874 0.710143 0.624396 H\n0.312126 0.289857 0.124396 H\n0.545440 0.853297 0.038073 H\n0.954560 0.146703 0.538073 H\n0.045440 0.646703 0.961927 H\n0.454560 0.353297 0.461927 H\n0.671732 0.795475 0.092361 H\n0.828268 0.204525 0.592361 H\n0.171732 0.704525 0.907639 H\n0.328268 0.295475 0.407639 H\n0.022843 0.272718 0.170847 H\n0.477157 0.727282 0.670847 H\n0.522843 0.227282 0.829153 H\n0.977157 0.772718 0.329153 H\n0.933781 0.374635 0.181117 H\n0.566219 0.625365 0.681117 H\n0.433781 0.125365 0.818883 H\n0.066219 0.874635 0.318883 H\n0.648638 0.946276 0.165454 H\n0.851362 0.053724 0.665454 H\n0.148638 0.553724 0.834546 H\n0.351362 0.446276 0.334546 H\n0.546383 0.983539 0.250216 H\n0.953617 0.016461 0.750216 H\n0.046383 0.516461 0.749784 H\n0.453617 0.483539 0.249784 H\n0.765727 0.711856 0.230899 Se\n0.734273 0.288144 0.730899 Se\n0.265727 0.788144 0.769101 Se\n0.234273 0.211856 0.269101 Se\n0.912310 0.479454 0.259634 O\n0.587690 0.520546 0.759634 O\n0.412310 0.020546 0.740366 O\n0.087690 0.979454 0.240366 O\n0.695449 0.532003 0.391566 O\n0.804551 0.467997 0.891566 O\n0.195449 0.967997 0.608434 O\n0.304551 0.032003 0.108434 O\n0.623555 0.479200 0.200672 O\n0.876445 0.520800 0.700672 O\n0.123555 0.020800 0.799328 O\n0.376445 0.979200 0.299328 O\n0.910394 0.071262 0.102599 O\n0.589606 0.928738 0.602599 O\n0.410394 0.428738 0.897401 O\n0.089606 0.571262 0.397401 O\n0.554564 0.112189 0.033862 O\n0.945436 0.887811 0.533862 O\n0.054564 0.387811 0.966138 O\n0.445436 0.612189 0.466138 O\n0.850222 0.063607 0.336880 O\n0.649778 0.936393 0.836880 O\n0.350222 0.436393 0.663120 O\n0.149778 0.563607 0.163120 O\n0.548987 0.099817 0.427032 O\n0.951013 0.900183 0.927032 O\n0.048987 0.400183 0.572968 O\n0.451013 0.599817 0.072968 O\n0.613842 0.269260 0.247382 O\n0.886158 0.730740 0.747382 O\n0.113843 0.230740 0.752618 O\n0.386158 0.769260 0.252618 O\n0.646745 0.372958 0.029888 O\n0.853255 0.627042 0.529888 O\n0.146745 0.127042 0.970112 O\n0.353255 0.872958 0.470112 O\n0.953411 0.331439 0.392581 O\n0.546589 0.668561 0.892581 O\n0.453411 0.168561 0.607419 O\n0.046589 0.831439 0.107419 O\n0.635641 0.357945 0.480228 O\n0.864359 0.642055 0.980228 O\n0.135641 0.142055 0.519772 O\n0.364359 0.857945 0.019772 O\n0.659314 0.826447 0.434475 O\n0.840686 0.173553 0.934475 O\n0.159314 0.673553 0.565525 O\n0.340686 0.326447 0.065525 O\n0.650758 0.856158 0.053130 O\n0.849242 0.143842 0.553130 O\n0.150758 0.643842 0.946870 O\n0.349242 0.356158 0.446870 O\n0.948293 0.313810 0.139182 O\n0.551707 0.686190 0.639182 O\n0.448293 0.186190 0.860818 O\n0.051707 0.813810 0.360818 O\n0.645240 0.988820 0.223647 O\n0.854760 0.011180 0.723647 O\n0.145240 0.511180 0.776353 O\n0.354760 0.488820 0.276353 O\n","nsites":176,"nelements":5,"elements":["Na","As","H","Se","O"],"chemical_system":"As-H-Na-O-Se","density":1.898755313895977,"density_atomic":0.10330341224368925,"volume":1703.7191335444174,"volume_molar":5.829566157789612,"formula_full":"Na12 As4 H96 Se4 O60","formula_reduced":"Na3AsH24SeO15","formula_anonymous":"ABC3D15E24","energy":-909.54670156,"energy_per_atom":-5.167878986136364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-866.4387015600001,"band_gap":3.2867,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:07.712000Z","spacegroup":19},{"id":"mp-644802","created_at":"2022-09-04T14:39:59.915506Z","structure_string":"C136 F40\n1.0\n19.970943 0.000000 0.000000\n0.000000 9.951921 0.000000\n0.000000 3.415914 9.824505\nC F\n136 40\ndirect\n0.286971 0.570526 0.789924 C\n0.786326 0.257132 0.913738 C\n0.320133 0.323248 0.617538 C\n0.321487 0.989361 0.261231 C\n0.321515 0.849253 0.119071 C\n0.379094 0.412968 0.584913 C\n0.213932 0.289458 0.514430 C\n0.122908 0.756552 0.674560 C\n0.250000 0.505826 0.172228 C\n0.879871 0.100852 0.706098 C\n0.620906 0.587032 0.415087 C\n0.808748 0.403775 0.860516 C\n0.576503 0.304744 0.517069 C\n0.786448 0.983578 0.633342 C\n0.250000 0.920853 0.592144 C\n0.171942 0.444690 0.785026 C\n0.596197 0.363220 0.376608 C\n0.377092 0.756552 0.674560 C\n0.861122 0.643678 0.078860 C\n0.713674 0.257132 0.913738 C\n0.098303 0.466460 0.449815 C\n0.880257 0.187657 0.793811 C\n0.213552 0.016422 0.366658 C\n0.075654 0.611773 0.397499 C\n0.828058 0.555310 0.214974 C\n0.634451 0.439175 0.776734 C\n0.309627 0.958983 0.505306 C\n0.998718 0.774770 0.751500 C\n0.881681 0.502431 0.327092 C\n0.865310 0.565701 0.657301 C\n0.714909 0.040812 0.847171 C\n0.190373 0.958983 0.505306 C\n0.809100 0.290372 0.260226 C\n0.713029 0.429474 0.210076 C\n0.786971 0.429474 0.210076 C\n0.690900 0.290372 0.260226 C\n0.424346 0.611773 0.397499 C\n0.380257 0.812343 0.206189 C\n0.178513 0.989361 0.261231 C\n0.365310 0.434299 0.342699 C\n0.634690 0.565701 0.657301 C\n0.618319 0.502431 0.327092 C\n0.750000 0.079147 0.407856 C\n0.381681 0.497569 0.672908 C\n0.865549 0.439175 0.776734 C\n0.213674 0.742868 0.086262 C\n0.584945 0.045702 0.222584 C\n0.179867 0.323248 0.617538 C\n0.619743 0.187657 0.793811 C\n0.132556 0.876862 0.536196 C\n0.365549 0.560825 0.223266 C\n0.638878 0.643678 0.078860 C\n0.401697 0.466460 0.449815 C\n0.679867 0.676752 0.382462 C\n0.903803 0.363220 0.376608 C\n0.713552 0.983578 0.633342 C\n0.001282 0.225230 0.248500 C\n0.691252 0.403775 0.860516 C\n0.879094 0.587032 0.415087 C\n0.620129 0.100852 0.706098 C\n0.134690 0.434299 0.342699 C\n0.308748 0.596225 0.139484 C\n0.361122 0.356322 0.921140 C\n0.119743 0.812343 0.206189 C\n0.097921 0.670796 0.256962 C\n0.118319 0.497569 0.672908 C\n0.403803 0.636780 0.623392 C\n0.286326 0.742868 0.086262 C\n0.808726 0.653057 0.625687 C\n0.902079 0.329204 0.743038 C\n0.074006 0.799468 0.775414 C\n0.076503 0.695256 0.482931 C\n0.084945 0.954298 0.777416 C\n0.191274 0.346943 0.374313 C\n0.867444 0.123138 0.463804 C\n0.134451 0.560825 0.223266 C\n0.098774 0.842232 0.430093 C\n0.308726 0.346943 0.374313 C\n0.574006 0.200532 0.224586 C\n0.367444 0.876862 0.536196 C\n0.215355 0.350761 0.726315 C\n0.690373 0.041017 0.494694 C\n0.286068 0.289458 0.514430 C\n0.820133 0.676752 0.382462 C\n0.915055 0.045702 0.222584 C\n0.901697 0.533540 0.550185 C\n0.671942 0.555310 0.214974 C\n0.715355 0.649239 0.273685 C\n0.924346 0.388227 0.602501 C\n0.678485 0.150747 0.880929 C\n0.309100 0.709628 0.739774 C\n0.286448 0.016422 0.366658 C\n0.821487 0.010639 0.738769 C\n0.190900 0.709628 0.739774 C\n0.785091 0.040812 0.847171 C\n0.402079 0.670796 0.256962 C\n0.901226 0.157768 0.569907 C\n0.786068 0.710542 0.485570 C\n0.622908 0.243448 0.325440 C\n0.877092 0.243448 0.325440 C\n0.713932 0.710542 0.485570 C\n0.598774 0.157768 0.569907 C\n0.178485 0.849253 0.119071 C\n0.250000 0.799538 0.704900 C\n0.678513 0.010639 0.738769 C\n0.284645 0.350761 0.726315 C\n0.498718 0.225230 0.248500 C\n0.096197 0.636780 0.623392 C\n0.501282 0.774770 0.751500 C\n0.191252 0.596225 0.139484 C\n0.750000 0.494174 0.827772 C\n0.328058 0.444690 0.785026 C\n0.213029 0.570526 0.789924 C\n0.821515 0.150747 0.880929 C\n0.575654 0.388227 0.602501 C\n0.784645 0.649239 0.273685 C\n0.750000 0.200462 0.295100 C\n0.598303 0.533540 0.550185 C\n0.138878 0.356322 0.921140 C\n0.285091 0.959188 0.152829 C\n0.415055 0.954298 0.777416 C\n0.809627 0.041017 0.494694 C\n0.597921 0.329204 0.743038 C\n0.425994 0.799468 0.775414 C\n0.120906 0.412968 0.584913 C\n0.925994 0.200532 0.224586 C\n0.750000 0.616850 0.712302 C\n0.214909 0.959188 0.152829 C\n0.632556 0.123138 0.463804 C\n0.423497 0.695256 0.482931 C\n0.379871 0.899148 0.293902 C\n0.923497 0.304744 0.517069 C\n0.691274 0.653057 0.625687 C\n0.120129 0.899148 0.293902 C\n0.250000 0.383150 0.287698 C\n0.401226 0.842232 0.430093 C\n0.481114 0.160650 0.380530 F\n0.586521 0.287710 0.092064 F\n0.055661 0.972745 0.887413 F\n0.981114 0.839350 0.619470 F\n0.513147 0.633728 0.785053 F\n0.315786 0.308329 0.023250 F\n0.392763 0.240037 0.907773 F\n0.059026 0.051878 0.664241 F\n0.413479 0.712290 0.907936 F\n0.086521 0.712290 0.907936 F\n0.986853 0.633728 0.785053 F\n0.444339 0.972745 0.887413 F\n0.518886 0.839350 0.619470 F\n0.184214 0.308329 0.023250 F\n0.151186 0.981637 0.783308 F\n0.013147 0.366272 0.214947 F\n0.848814 0.018363 0.216692 F\n0.486853 0.366272 0.214947 F\n0.913479 0.287710 0.092064 F\n0.348814 0.981637 0.783308 F\n0.018886 0.160650 0.380530 F\n0.958449 0.825439 0.829634 F\n0.684214 0.691671 0.976750 F\n0.944339 0.027255 0.112587 F\n0.559026 0.948122 0.335759 F\n0.607237 0.759963 0.092227 F\n0.458449 0.174561 0.170366 F\n0.407522 0.433189 0.961855 F\n0.041551 0.174561 0.170366 F\n0.592478 0.566811 0.038145 F\n0.907522 0.566811 0.038145 F\n0.107237 0.240037 0.907773 F\n0.892763 0.759963 0.092227 F\n0.440974 0.051878 0.664241 F\n0.940974 0.948122 0.335759 F\n0.555661 0.027255 0.112587 F\n0.815786 0.691671 0.976750 F\n0.541551 0.825439 0.829634 F\n0.092478 0.433189 0.961855 F\n0.651186 0.018363 0.216692 F\n","nsites":176,"nelements":2,"elements":["C","F"],"chemical_system":"C-F","density":2.0353853325825564,"density_atomic":0.09013562984331963,"volume":1952.6129712072363,"volume_molar":6.681198955915797,"formula_full":"C136 F40","formula_reduced":"C17F5","formula_anonymous":"A5B17","energy":-1387.90325794,"energy_per_atom":-7.885813965568182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1369.42325794,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0927543,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.285000Z","spacegroup":11},{"id":"mp-706605","created_at":"2022-09-04T14:42:48.240619Z","structure_string":"K16 Zr4 H40 C32 O84\n1.0\n11.030730 0.000000 -1.062527\n0.000000 12.634438 0.000000\n-0.304729 0.000000 16.533247\nK Zr H C O\n16 4 40 32 84\ndirect\n0.505149 0.576749 0.816594 K\n0.494851 0.076749 0.683406 K\n0.494851 0.423251 0.183406 K\n0.505149 0.923251 0.316594 K\n0.866309 0.346676 0.760842 K\n0.133691 0.846676 0.739158 K\n0.133691 0.653324 0.239158 K\n0.866309 0.153323 0.260842 K\n0.597232 0.159992 0.092827 K\n0.402768 0.659992 0.407173 K\n0.402768 0.840008 0.907173 K\n0.597232 0.340008 0.592827 K\n0.016271 0.737673 0.005792 K\n0.983729 0.237673 0.494208 K\n0.983729 0.262327 0.994208 K\n0.016271 0.762327 0.505792 K\n0.250657 0.344049 0.827582 Zr\n0.749343 0.844049 0.672418 Zr\n0.749343 0.655951 0.172418 Zr\n0.250657 0.155951 0.327582 Zr\n0.895087 0.388132 0.341402 H\n0.104913 0.888132 0.158598 H\n0.104913 0.611868 0.658598 H\n0.895087 0.111868 0.841402 H\n0.789237 0.370215 0.397142 H\n0.210763 0.870215 0.102858 H\n0.210763 0.629785 0.602858 H\n0.789237 0.129785 0.897142 H\n0.680200 0.204898 0.776365 H\n0.319800 0.704898 0.723635 H\n0.319800 0.795102 0.223635 H\n0.680200 0.295102 0.276365 H\n0.630630 0.323935 0.776425 H\n0.369370 0.823935 0.723575 H\n0.369370 0.676065 0.223575 H\n0.630630 0.176065 0.276425 H\n0.175187 0.504030 0.503588 H\n0.824813 0.004030 0.996412 H\n0.824813 0.495970 0.496412 H\n0.175187 0.995970 0.003588 H\n0.095422 0.555213 0.431572 H\n0.904578 0.055213 0.068428 H\n0.904578 0.444787 0.568428 H\n0.095422 0.944787 0.931572 H\n0.559398 0.053265 0.915819 H\n0.440602 0.553265 0.584181 H\n0.440602 0.946735 0.084181 H\n0.559398 0.446735 0.415819 H\n0.486153 0.154586 0.885282 H\n0.513847 0.654586 0.614718 H\n0.513847 0.845414 0.114718 H\n0.486153 0.345414 0.385282 H\n0.269750 0.631298 0.013523 H\n0.730250 0.131298 0.486477 H\n0.730250 0.368702 0.986477 H\n0.269750 0.868702 0.513523 H\n0.254591 0.585292 0.100951 H\n0.745409 0.085292 0.399049 H\n0.745409 0.414708 0.899049 H\n0.254591 0.914708 0.600951 H\n0.170528 0.387959 0.646782 C\n0.829472 0.887959 0.853218 C\n0.829472 0.612041 0.353218 C\n0.170528 0.112041 0.146782 C\n0.310155 0.405565 0.657504 C\n0.689845 0.905565 0.842496 C\n0.689845 0.594435 0.342496 C\n0.310155 0.094435 0.157504 C\n0.440093 0.356880 0.975686 C\n0.559907 0.856880 0.524314 C\n0.559907 0.643120 0.024314 C\n0.440093 0.143120 0.475686 C\n0.317821 0.334984 0.011314 C\n0.682179 0.834984 0.488686 C\n0.682179 0.665016 0.988686 C\n0.317821 0.165016 0.511314 C\n0.173470 0.581177 0.860158 C\n0.826530 0.081177 0.639842 C\n0.826530 0.418823 0.139842 C\n0.173470 0.918823 0.360158 C\n0.052715 0.516759 0.874251 C\n0.947285 0.016759 0.625749 C\n0.947285 0.483241 0.125749 C\n0.052715 0.983241 0.374251 C\n0.112869 0.132923 0.822971 C\n0.887131 0.632923 0.677029 C\n0.887131 0.867077 0.177029 C\n0.112869 0.367077 0.322971 C\n0.247582 0.102929 0.816930 C\n0.752418 0.602929 0.683070 C\n0.752418 0.897071 0.183070 C\n0.247582 0.397071 0.316930 C\n0.127370 0.364490 0.714401 O\n0.872630 0.864490 0.785599 O\n0.872630 0.635510 0.285599 O\n0.127370 0.135510 0.214401 O\n0.109903 0.397158 0.579202 O\n0.890097 0.897158 0.920798 O\n0.890097 0.602842 0.420798 O\n0.109903 0.102842 0.079202 O\n0.361341 0.386868 0.730465 O\n0.638659 0.886868 0.769535 O\n0.638659 0.613132 0.269535 O\n0.361341 0.113132 0.230465 O\n0.362168 0.436451 0.599168 O\n0.637832 0.936451 0.900832 O\n0.637832 0.563549 0.400832 O\n0.362168 0.063549 0.099168 O\n0.427288 0.367303 0.897000 O\n0.572712 0.867303 0.603000 O\n0.572712 0.632697 0.103000 O\n0.427288 0.132697 0.397000 O\n0.536825 0.360914 0.021352 O\n0.463175 0.860914 0.478648 O\n0.463175 0.639086 0.978648 O\n0.536825 0.139086 0.521352 O\n0.223874 0.335423 0.954975 O\n0.776126 0.835423 0.545025 O\n0.776126 0.664577 0.045025 O\n0.223874 0.164577 0.454975 O\n0.314840 0.316244 0.084026 O\n0.685160 0.816244 0.415974 O\n0.685160 0.683756 0.915974 O\n0.314840 0.183756 0.584026 O\n0.254860 0.520727 0.836774 O\n0.745140 0.020727 0.663226 O\n0.745140 0.479273 0.163226 O\n0.254860 0.979273 0.336774 O\n0.173732 0.677842 0.870542 O\n0.826268 0.177842 0.629458 O\n0.826268 0.322158 0.129458 O\n0.173732 0.822158 0.370542 O\n0.663306 0.425007 0.821360 O\n0.336694 0.925007 0.678640 O\n0.336694 0.574993 0.178640 O\n0.663306 0.074993 0.321360 O\n0.961265 0.553792 0.892450 O\n0.038735 0.053792 0.607550 O\n0.038735 0.446208 0.107550 O\n0.961265 0.946208 0.392450 O\n0.095110 0.233232 0.832782 O\n0.904890 0.733232 0.667218 O\n0.904890 0.766768 0.167218 O\n0.095110 0.266768 0.332782 O\n0.033645 0.062650 0.819601 O\n0.966355 0.562650 0.680399 O\n0.966355 0.937350 0.180399 O\n0.033645 0.437350 0.319601 O\n0.318628 0.185570 0.815192 O\n0.681372 0.685570 0.684808 O\n0.681372 0.814430 0.184808 O\n0.318628 0.314430 0.315192 O\n0.279883 0.009856 0.815365 O\n0.720117 0.509856 0.684635 O\n0.720117 0.990144 0.184635 O\n0.279883 0.490144 0.315365 O\n0.175920 0.657300 0.650190 O\n0.824080 0.157300 0.849810 O\n0.824080 0.342700 0.349810 O\n0.175920 0.842700 0.150190 O\n0.378342 0.751388 0.755209 O\n0.621658 0.251388 0.744791 O\n0.621658 0.248612 0.244791 O\n0.378342 0.748612 0.255209 O\n0.165614 0.930148 0.971587 O\n0.834386 0.430148 0.528413 O\n0.834386 0.069852 0.028413 O\n0.165614 0.569852 0.471587 O\n0.466977 0.623417 0.567016 O\n0.533023 0.123417 0.932984 O\n0.533023 0.376583 0.432984 O\n0.466977 0.876583 0.067016 O\n0.206078 0.608515 0.045784 O\n0.793922 0.108515 0.454216 O\n0.793922 0.391485 0.954216 O\n0.206078 0.891485 0.545784 O\n","nsites":176,"nelements":5,"elements":["K","Zr","H","C","O"],"chemical_system":"C-H-K-O-Zr","density":1.991895382050891,"density_atomic":0.07651843056843793,"volume":2300.0994491462543,"volume_molar":7.870183320884775,"formula_full":"K16 Zr4 H40 C32 O84","formula_reduced":"K4ZrH10C8O21","formula_anonymous":"AB4C8D10E21","energy":-1177.8225700500002,"energy_per_atom":-6.69217369346591,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1120.11457005,"band_gap":0.9719,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0000112,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.503000Z","spacegroup":14},{"id":"mp-600217","created_at":"2022-09-04T14:46:21.866939Z","structure_string":"H80 C40 Se8 S16 Br8 N24\n1.0\n9.125855 0.000000 0.000000\n0.000000 11.990562 0.000000\n0.000000 0.000000 22.377422\nH C Se S Br N\n80 40 8 16 8 24\ndirect\n0.546117 0.144591 0.611046 H\n0.595409 0.470032 0.158205 H\n0.351452 0.484312 0.120233 H\n0.648548 0.515688 0.879767 H\n0.715539 0.517291 0.290252 H\n0.842626 0.859084 0.353835 H\n0.095409 0.029968 0.841795 H\n0.648548 0.984312 0.379767 H\n0.800679 0.291469 0.395926 H\n0.289818 0.271445 0.183143 H\n0.345974 0.435026 0.250834 H\n0.342626 0.859084 0.146165 H\n0.851452 0.015688 0.879767 H\n0.404591 0.970032 0.341795 H\n0.784461 0.017291 0.290252 H\n0.953883 0.855409 0.111046 H\n0.851452 0.484312 0.379767 H\n0.904591 0.970032 0.158205 H\n0.699321 0.791469 0.395926 H\n0.345974 0.064974 0.750834 H\n0.715539 0.982709 0.790252 H\n0.453883 0.644591 0.888954 H\n0.904591 0.529968 0.658205 H\n0.046117 0.144591 0.888954 H\n0.284461 0.482709 0.709748 H\n0.095409 0.470032 0.341795 H\n0.342626 0.640916 0.646165 H\n0.048805 0.336410 0.309150 H\n0.654026 0.935026 0.249166 H\n0.215539 0.517291 0.209748 H\n0.157374 0.359084 0.146165 H\n0.784461 0.482709 0.790252 H\n0.451195 0.836410 0.309150 H\n0.789818 0.228555 0.816857 H\n0.903088 0.563381 0.282494 H\n0.699321 0.708531 0.895926 H\n0.284461 0.017291 0.209748 H\n0.845974 0.064974 0.749166 H\n0.657374 0.359084 0.353835 H\n0.953883 0.644591 0.611046 H\n0.300679 0.291469 0.104074 H\n0.596912 0.063381 0.282494 H\n0.300679 0.208531 0.604074 H\n0.951195 0.836410 0.190850 H\n0.148548 0.515688 0.620233 H\n0.210182 0.728555 0.683143 H\n0.842626 0.640916 0.853835 H\n0.710182 0.771445 0.316857 H\n0.157374 0.140916 0.646165 H\n0.210182 0.771445 0.183143 H\n0.657374 0.140916 0.853835 H\n0.654026 0.564974 0.749166 H\n0.546117 0.355409 0.111046 H\n0.595409 0.029968 0.658205 H\n0.453883 0.855409 0.388954 H\n0.451195 0.663590 0.809150 H\n0.215539 0.982709 0.709748 H\n0.548805 0.163590 0.690850 H\n0.710182 0.728555 0.816857 H\n0.548805 0.336410 0.190850 H\n0.154026 0.935026 0.250834 H\n0.403088 0.936619 0.717506 H\n0.096912 0.436619 0.717506 H\n0.048805 0.163590 0.809150 H\n0.154026 0.564974 0.750834 H\n0.903088 0.936619 0.782494 H\n0.403088 0.563381 0.217506 H\n0.289818 0.228555 0.683143 H\n0.148548 0.984312 0.120233 H\n0.046117 0.355409 0.388954 H\n0.096912 0.063381 0.217506 H\n0.951195 0.663590 0.690850 H\n0.351452 0.015688 0.620233 H\n0.199321 0.708531 0.604074 H\n0.800679 0.208531 0.895926 H\n0.596912 0.436619 0.782494 H\n0.404591 0.529968 0.841795 H\n0.789818 0.271445 0.316857 H\n0.199321 0.791469 0.104074 H\n0.845974 0.435026 0.249166 H\n0.830429 0.008962 0.787301 C\n0.228401 0.830811 0.146711 C\n0.973459 0.895419 0.154375 C\n0.882174 0.240815 0.158960 C\n0.771599 0.330811 0.353289 C\n0.830429 0.491038 0.287301 C\n0.669571 0.508962 0.787301 C\n0.973459 0.604581 0.654375 C\n0.169571 0.508962 0.712699 C\n0.382174 0.240815 0.341040 C\n0.548178 0.430366 0.603871 C\n0.026541 0.395419 0.345625 C\n0.117826 0.759185 0.841040 C\n0.473459 0.604581 0.845625 C\n0.048178 0.430366 0.896129 C\n0.330429 0.491038 0.212699 C\n0.473459 0.895419 0.345625 C\n0.271599 0.330811 0.146711 C\n0.951822 0.930366 0.603871 C\n0.169571 0.991038 0.212699 C\n0.271599 0.169189 0.646711 C\n0.771599 0.169189 0.853289 C\n0.228401 0.669189 0.646711 C\n0.728401 0.830811 0.353289 C\n0.451822 0.930366 0.896129 C\n0.951822 0.569634 0.103871 C\n0.451822 0.569634 0.396129 C\n0.026541 0.104581 0.845625 C\n0.526541 0.104581 0.654375 C\n0.617826 0.759185 0.658960 C\n0.048178 0.069634 0.396129 C\n0.617826 0.740815 0.158960 C\n0.330429 0.008962 0.712699 C\n0.548178 0.069634 0.103871 C\n0.382174 0.259185 0.841040 C\n0.526541 0.395419 0.154375 C\n0.882174 0.259185 0.658960 C\n0.728401 0.669189 0.853289 C\n0.669571 0.991038 0.287301 C\n0.117826 0.740815 0.341040 C\n0.834440 0.121069 0.037757 Se\n0.334440 0.378931 0.962243 Se\n0.334440 0.121069 0.462243 Se\n0.165560 0.878931 0.962243 Se\n0.665560 0.621069 0.037757 Se\n0.665560 0.878931 0.537757 Se\n0.834440 0.378931 0.537757 Se\n0.165560 0.621069 0.462243 Se\n0.581972 0.370142 0.538032 S\n0.418028 0.870142 0.961968 S\n0.631681 0.787145 0.088805 S\n0.868319 0.212855 0.588805 S\n0.918028 0.629858 0.038032 S\n0.368319 0.212855 0.911195 S\n0.631681 0.712855 0.588805 S\n0.081972 0.129858 0.461968 S\n0.131681 0.787145 0.411195 S\n0.918028 0.870142 0.538032 S\n0.081972 0.370142 0.961968 S\n0.581972 0.129858 0.038032 S\n0.868319 0.287145 0.088805 S\n0.368319 0.287145 0.411195 S\n0.131681 0.712855 0.911195 S\n0.418028 0.629858 0.461968 S\n0.172527 0.409700 0.537991 Br\n0.672527 0.409700 0.962009 Br\n0.827473 0.909700 0.962009 Br\n0.827473 0.590300 0.462009 Br\n0.327473 0.909700 0.537991 Br\n0.172527 0.090300 0.037991 Br\n0.672527 0.090300 0.462009 Br\n0.327473 0.590300 0.037991 Br\n0.392701 0.287649 0.790678 N\n0.368907 0.070472 0.656557 N\n0.131093 0.570472 0.656557 N\n0.392701 0.212351 0.290678 N\n0.521525 0.471901 0.650416 N\n0.631093 0.929528 0.343443 N\n0.868907 0.429528 0.343443 N\n0.631093 0.570472 0.843443 N\n0.021525 0.028099 0.349584 N\n0.607299 0.712351 0.209322 N\n0.107299 0.787649 0.790678 N\n0.978475 0.971901 0.650416 N\n0.107299 0.712351 0.290678 N\n0.368907 0.429528 0.156557 N\n0.892701 0.212351 0.209322 N\n0.868907 0.070472 0.843443 N\n0.607299 0.787649 0.709322 N\n0.892701 0.287649 0.709322 N\n0.021525 0.471901 0.849584 N\n0.521525 0.028099 0.150416 N\n0.478475 0.971901 0.849584 N\n0.978475 0.528099 0.150416 N\n0.478475 0.528099 0.349584 N\n0.131093 0.929528 0.156557 N\n","nsites":176,"nelements":6,"elements":["H","C","Se","S","Br","N"],"chemical_system":"Br-C-H-N-S-Se","density":1.8182402425448734,"density_atomic":0.07187692891700852,"volume":2448.6299380322084,"volume_molar":8.378405770443203,"formula_full":"H80 C40 Se8 S16 Br8 N24","formula_reduced":"H10C5SeS2BrN3","formula_anonymous":"ABC2D3E5F10","energy":-980.09447108,"energy_per_atom":-5.568718585681818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-955.33447108,"band_gap":2.327,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0077746,"is_theoretical":false,"updated_at":"2021-11-28T01:37:26.405000Z","spacegroup":61},{"id":"mp-1198079","created_at":"2022-09-04T14:43:58.864982Z","structure_string":"V8 P24 Pb32 O112\n1.0\n-0.006076 0.000000 13.480986\n13.710277 0.000000 -0.453989\n0.000000 14.026957 0.000000\nV P Pb O\n8 24 32 112\ndirect\n0.866228 0.450548 0.606978 V\n0.633772 0.549452 0.106978 V\n0.133772 0.549452 0.393022 V\n0.366228 0.450548 0.893022 V\n0.629908 0.058765 0.590911 V\n0.870092 0.941235 0.090911 V\n0.370092 0.941235 0.409089 V\n0.129908 0.058765 0.909089 V\n0.557790 0.848962 0.512758 P\n0.942210 0.151038 0.012758 P\n0.442210 0.151038 0.487242 P\n0.057790 0.848962 0.987242 P\n0.944821 0.655230 0.517712 P\n0.555179 0.344770 0.017712 P\n0.055179 0.344770 0.482288 P\n0.444821 0.655230 0.982288 P\n0.737621 0.254487 0.701929 P\n0.762379 0.745513 0.201929 P\n0.262379 0.745513 0.298071 P\n0.237621 0.254487 0.798071 P\n0.531391 0.025367 0.842486 P\n0.968609 0.974633 0.342486 P\n0.468609 0.974633 0.157514 P\n0.031391 0.025367 0.657514 P\n0.568486 0.536282 0.349593 P\n0.931514 0.463718 0.849593 P\n0.431514 0.463718 0.650407 P\n0.068486 0.536282 0.150407 P\n0.731724 0.749391 0.771205 P\n0.768276 0.250609 0.271205 P\n0.268276 0.250609 0.228795 P\n0.231724 0.749391 0.728795 P\n0.623177 0.355396 0.487144 Pb\n0.876823 0.644604 0.987144 Pb\n0.376823 0.644604 0.512856 Pb\n0.123177 0.355396 0.012856 Pb\n0.839053 0.504886 0.315191 Pb\n0.660947 0.495114 0.815191 Pb\n0.160947 0.495114 0.684809 Pb\n0.339053 0.504886 0.184809 Pb\n0.858974 0.162892 0.491097 Pb\n0.641026 0.837108 0.991097 Pb\n0.141026 0.837108 0.508903 Pb\n0.358974 0.162892 0.008903 Pb\n0.668045 0.636089 0.547182 Pb\n0.831955 0.363911 0.047182 Pb\n0.331955 0.363911 0.452818 Pb\n0.168045 0.636089 0.952818 Pb\n0.833426 0.868521 0.545755 Pb\n0.666574 0.131479 0.045755 Pb\n0.166574 0.131479 0.454245 Pb\n0.333426 0.868521 0.954245 Pb\n0.985632 0.254686 0.751501 Pb\n0.514368 0.745314 0.251501 Pb\n0.014368 0.745314 0.248499 Pb\n0.485632 0.254686 0.748499 Pb\n0.772296 0.011261 0.790542 Pb\n0.727704 0.988739 0.290542 Pb\n0.227704 0.988739 0.209458 Pb\n0.272296 0.011261 0.709458 Pb\n0.491676 0.778373 0.750251 Pb\n0.008324 0.221627 0.250251 Pb\n0.508324 0.221627 0.249749 Pb\n0.991676 0.778373 0.749749 Pb\n0.837144 0.684621 0.497620 O\n0.662856 0.315379 0.997620 O\n0.162856 0.315379 0.502380 O\n0.337144 0.684621 0.002380 O\n0.664636 0.814151 0.496213 O\n0.835364 0.185849 0.996213 O\n0.335364 0.185849 0.503787 O\n0.164636 0.814151 0.003787 O\n0.497562 0.764644 0.562204 O\n0.002438 0.235356 0.062204 O\n0.502438 0.235356 0.437796 O\n0.997562 0.764644 0.937796 O\n0.510909 0.879572 0.416318 O\n0.989091 0.120428 0.916318 O\n0.489091 0.120428 0.583682 O\n0.010909 0.879572 0.083682 O\n0.792988 0.185136 0.768081 O\n0.707012 0.814864 0.268081 O\n0.207012 0.814864 0.231919 O\n0.292988 0.185136 0.731919 O\n0.999279 0.745445 0.567359 O\n0.500721 0.254555 0.067359 O\n0.000721 0.254555 0.432641 O\n0.499279 0.745445 0.932641 O\n0.672987 0.196912 0.625270 O\n0.827013 0.803088 0.125270 O\n0.327013 0.803088 0.374730 O\n0.172987 0.196912 0.874730 O\n0.559447 0.934451 0.587675 O\n0.940553 0.065549 0.087675 O\n0.440553 0.065549 0.412325 O\n0.059447 0.934451 0.912325 O\n0.995266 0.629452 0.422026 O\n0.504734 0.370548 0.922026 O\n0.004734 0.370548 0.577974 O\n0.495266 0.629452 0.077974 O\n0.835379 0.437621 0.491669 O\n0.664621 0.562379 0.991669 O\n0.164621 0.562379 0.508331 O\n0.335379 0.437621 0.008331 O\n0.553678 0.556119 0.241288 O\n0.946322 0.443881 0.741288 O\n0.446322 0.443881 0.758712 O\n0.053678 0.556119 0.258712 O\n0.598513 0.055096 0.755649 O\n0.901487 0.944904 0.255649 O\n0.401487 0.944904 0.244351 O\n0.098513 0.055096 0.744351 O\n0.529459 0.627984 0.401940 O\n0.970541 0.372016 0.901940 O\n0.470541 0.372016 0.598060 O\n0.029459 0.627984 0.098060 O\n0.679294 0.527266 0.379515 O\n0.820706 0.472734 0.879515 O\n0.320706 0.472734 0.620485 O\n0.179294 0.527266 0.120485 O\n0.654312 0.071858 0.476865 O\n0.845688 0.928142 0.976865 O\n0.345688 0.928142 0.523135 O\n0.154312 0.071858 0.023135 O\n0.763309 0.500034 0.655464 O\n0.736691 0.499966 0.155464 O\n0.236691 0.499966 0.344536 O\n0.263309 0.500034 0.844536 O\n0.667411 0.836139 0.806258 O\n0.832589 0.163861 0.306258 O\n0.332589 0.163861 0.193742 O\n0.167411 0.836139 0.693742 O\n0.948526 0.570148 0.591993 O\n0.551474 0.429852 0.091993 O\n0.051474 0.429852 0.408007 O\n0.448526 0.570148 0.908007 O\n0.822141 0.312104 0.645623 O\n0.677859 0.687896 0.145623 O\n0.177859 0.687896 0.354377 O\n0.322141 0.312104 0.854377 O\n0.666563 0.322319 0.753397 O\n0.833437 0.677681 0.253397 O\n0.333437 0.677681 0.246603 O\n0.166563 0.322319 0.746603 O\n0.478452 0.117679 0.877818 O\n0.021548 0.882321 0.377818 O\n0.521548 0.882321 0.122182 O\n0.978452 0.117679 0.622182 O\n0.454332 0.943178 0.814607 O\n0.045668 0.056822 0.314607 O\n0.545668 0.056822 0.185393 O\n0.954332 0.943178 0.685393 O\n0.743990 0.010665 0.627850 O\n0.756010 0.989335 0.127850 O\n0.256010 0.989335 0.372150 O\n0.243990 0.010665 0.872150 O\n0.512573 0.440901 0.381413 O\n0.987427 0.559099 0.881413 O\n0.487427 0.559099 0.618587 O\n0.012573 0.440901 0.118587 O\n0.601354 0.989995 0.923836 O\n0.898646 0.010005 0.423836 O\n0.398646 0.010005 0.076164 O\n0.101354 0.989995 0.576164 O\n0.657262 0.671765 0.727250 O\n0.842738 0.328235 0.227250 O\n0.342738 0.328235 0.272750 O\n0.157262 0.671765 0.772750 O\n0.806985 0.787537 0.694631 O\n0.693015 0.212463 0.194631 O\n0.193015 0.212463 0.305369 O\n0.306985 0.787537 0.805369 O\n0.790488 0.707603 0.854546 O\n0.709512 0.292397 0.354546 O\n0.209512 0.292397 0.145454 O\n0.290488 0.707603 0.645454 O\n","nsites":176,"nelements":4,"elements":["V","P","Pb","O"],"chemical_system":"O-P-Pb-V","density":6.131728971781926,"density_atomic":0.06788718439762086,"volume":2592.536449429887,"volume_molar":8.870806490850796,"formula_full":"V8 P24 Pb32 O112","formula_reduced":"VP3(Pb2O7)2","formula_anonymous":"AB3C4D14","energy":-1288.4669475300002,"energy_per_atom":-7.320834929147728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1197.92294753,"band_gap":2.2266,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:25.761000Z","spacegroup":14},{"id":"mp-649747","created_at":"2022-09-04T14:47:25.482293Z","structure_string":"K44 Sb22 F110\n1.0\n6.605888 0.000000 0.000000\n0.000000 17.528174 0.000000\n0.000000 5.637431 28.540018\nK Sb F\n44 22 110\ndirect\n0.761112 0.648589 0.626011 K\n0.754840 0.587911 0.477340 K\n0.754463 0.744973 0.932853 K\n0.255916 0.499893 0.249820 K\n0.258328 0.451389 0.106588 K\n0.742962 0.225308 0.569103 K\n0.752799 0.738179 0.355578 K\n0.208746 0.951201 0.866367 K\n0.736865 0.676292 0.206808 K\n0.770641 0.952743 0.388222 K\n0.240725 0.590030 0.977727 K\n0.767261 0.842783 0.083054 K\n0.254296 0.533369 0.828155 K\n0.708746 0.048799 0.133633 K\n0.754296 0.466631 0.171845 K\n0.242962 0.774692 0.430897 K\n0.247262 0.813839 0.993160 K\n0.246277 0.712917 0.290591 K\n0.254463 0.255027 0.067147 K\n0.770394 0.010411 0.535195 K\n0.768374 0.313945 0.296880 K\n0.238354 0.137240 0.340937 K\n0.741051 0.100185 0.264615 K\n0.746277 0.287083 0.709409 K\n0.268374 0.686055 0.703120 K\n0.246950 0.073254 0.177646 K\n0.236865 0.323708 0.793192 K\n0.267261 0.157217 0.916946 K\n0.261112 0.351411 0.373989 K\n0.758328 0.548611 0.893412 K\n0.270394 0.989589 0.464805 K\n0.254840 0.412089 0.522660 K\n0.270641 0.047257 0.611778 K\n0.740725 0.409970 0.022273 K\n0.252799 0.261821 0.644422 K\n0.746950 0.926746 0.822354 K\n0.738354 0.862760 0.659063 K\n0.782970 0.154395 0.828829 K\n0.764791 0.371790 0.444867 K\n0.264791 0.628210 0.555133 K\n0.755916 0.500107 0.750180 K\n0.282970 0.845605 0.171171 K\n0.747262 0.186161 0.006840 K\n0.241051 0.899815 0.735385 K\n0.242170 0.833924 0.587429 Sb\n0.259050 0.030875 0.042320 Sb\n0.766025 0.072844 0.682646 Sb\n0.252134 0.473070 0.678368 Sb\n0.755359 0.439467 0.592977 Sb\n0.267366 0.112598 0.762579 Sb\n0.241628 0.198185 0.497195 Sb\n0.741628 0.801815 0.502805 Sb\n0.266025 0.927156 0.317354 Sb\n0.770009 0.264330 0.145613 Sb\n0.767366 0.887402 0.237421 Sb\n0.752134 0.526930 0.321632 Sb\n0.739684 0.619000 0.048458 Sb\n0.742170 0.166076 0.412571 Sb\n0.759050 0.969125 0.957680 Sb\n0.239684 0.381000 0.951542 Sb\n0.741467 0.342781 0.866810 Sb\n0.270009 0.735670 0.854387 Sb\n0.263269 0.288108 0.226278 Sb\n0.763269 0.711892 0.773722 Sb\n0.241467 0.657219 0.133190 Sb\n0.255359 0.560533 0.407023 Sb\n0.053770 0.650120 0.883868 F\n0.721542 0.879718 0.170878 F\n0.495864 0.551959 0.674676 F\n0.457538 0.656106 0.397530 F\n0.529765 0.877653 0.464460 F\n0.257928 0.579847 0.471942 F\n0.044919 0.926851 0.588519 F\n0.991630 0.514968 0.563688 F\n0.972474 0.984096 0.679386 F\n0.471818 0.299694 0.980202 F\n0.514817 0.235915 0.376032 F\n0.516116 0.417140 0.832891 F\n0.459647 0.289443 0.482032 F\n0.039744 0.201634 0.755059 F\n0.489871 0.850734 0.351704 F\n0.552915 0.526950 0.560526 F\n0.949892 0.526522 0.064478 F\n0.491630 0.485032 0.436312 F\n0.556053 0.615800 0.787658 F\n0.785655 0.328089 0.801243 F\n0.478688 0.742982 0.124917 F\n0.377747 0.112562 0.075061 F\n0.975990 0.172456 0.146289 F\n0.113444 0.127071 0.001253 F\n0.305262 0.847865 0.651886 F\n0.756673 0.510989 0.255940 F\n0.475780 0.200897 0.765854 F\n0.516565 0.075314 0.989200 F\n0.226589 0.759038 0.917771 F\n0.032411 0.012072 0.309057 F\n0.052915 0.473050 0.439474 F\n0.937832 0.439497 0.841718 F\n0.757928 0.420153 0.528058 F\n0.528608 0.791842 0.747698 F\n0.877747 0.887438 0.924939 F\n0.029765 0.122347 0.535540 F\n0.256673 0.489011 0.744060 F\n0.449892 0.473478 0.935522 F\n0.959647 0.710557 0.517968 F\n0.532411 0.987928 0.690943 F\n0.048425 0.825442 0.837730 F\n0.444694 0.380369 0.708977 F\n0.524065 0.531055 0.050684 F\n0.726589 0.240962 0.082229 F\n0.056053 0.384200 0.212342 F\n0.468738 0.208433 0.263801 F\n0.521380 0.355606 0.597502 F\n0.944694 0.619631 0.291023 F\n0.562761 0.169380 0.660016 F\n0.281004 0.405328 0.015102 F\n0.490807 0.373554 0.225012 F\n0.515349 0.691531 0.010848 F\n0.554257 0.431149 0.328159 F\n0.014817 0.764085 0.623968 F\n0.024065 0.468945 0.949316 F\n0.539744 0.798366 0.244941 F\n0.436925 0.735168 0.610363 F\n0.016565 0.924686 0.010800 F\n0.980269 0.081871 0.425282 F\n0.986116 0.966185 0.204445 F\n0.222262 0.309755 0.290415 F\n0.062761 0.830620 0.339984 F\n0.011123 0.399774 0.707733 F\n0.722262 0.690245 0.709585 F\n0.713186 0.062823 0.616619 F\n0.557067 0.983488 0.216805 F\n0.021380 0.644394 0.402498 F\n0.990807 0.626446 0.774988 F\n0.308350 0.214007 0.561424 F\n0.971818 0.700306 0.019798 F\n0.054257 0.568851 0.671841 F\n0.488473 0.660632 0.892294 F\n0.437832 0.560503 0.158282 F\n0.896832 0.037216 0.894512 F\n0.544919 0.073149 0.411481 F\n0.015349 0.308469 0.989152 F\n0.989871 0.149266 0.648296 F\n0.029933 0.285840 0.501259 F\n0.548425 0.174558 0.162270 F\n0.472474 0.015904 0.320614 F\n0.808350 0.785993 0.438576 F\n0.455386 0.106098 0.518948 F\n0.955386 0.893902 0.481052 F\n0.781004 0.594672 0.984898 F\n0.805262 0.152135 0.348114 F\n0.978688 0.257018 0.875083 F\n0.995864 0.448041 0.325324 F\n0.613444 0.872929 0.998747 F\n0.028608 0.208158 0.252302 F\n0.031889 0.748204 0.133745 F\n0.936925 0.264832 0.389637 F\n0.514324 0.963274 0.915346 F\n0.988473 0.339368 0.107706 F\n0.016116 0.582860 0.167109 F\n0.221542 0.120282 0.829122 F\n0.553770 0.349880 0.116132 F\n0.486116 0.033815 0.795555 F\n0.285655 0.671911 0.198757 F\n0.396832 0.962784 0.105488 F\n0.968738 0.791567 0.736199 F\n0.213186 0.937177 0.383381 F\n0.480269 0.918129 0.574718 F\n0.957538 0.343894 0.602470 F\n0.975780 0.799103 0.234146 F\n0.531889 0.251796 0.866255 F\n0.014324 0.036726 0.084654 F\n0.511123 0.600226 0.292267 F\n0.057067 0.016512 0.783195 F\n0.529933 0.714160 0.498741 F\n0.475990 0.827544 0.853711 F\n","nsites":176,"nelements":3,"elements":["K","Sb","F"],"chemical_system":"F-K-Sb","density":3.2605886792786207,"density_atomic":0.05325869776276973,"volume":3304.62454759891,"volume_molar":11.307337604881793,"formula_full":"K44 Sb22 F110","formula_reduced":"K2SbF5","formula_anonymous":"AB2C5","energy":-863.2759229300002,"energy_per_atom":-4.904976834829546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-812.4559229300002,"band_gap":3.98,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021935,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.574000Z","spacegroup":4},{"id":"mp-1200037","created_at":"2022-09-04T14:46:16.670488Z","structure_string":"K20 Na4 Fe8 C48 O96\n1.0\n13.803140 0.000000 -0.000000\n-0.000000 13.803140 0.000000\n0.000000 0.000000 13.803140\nK Na Fe C O\n20 4 8 48 96\ndirect\n0.079936 0.579936 0.920064 K\n0.920064 0.079936 0.579936 K\n0.579936 0.920064 0.079936 K\n0.420064 0.420064 0.420064 K\n0.670064 0.170064 0.329936 K\n0.170064 0.329936 0.670064 K\n0.329936 0.670064 0.170064 K\n0.829936 0.829936 0.829936 K\n0.759153 0.509153 0.875000 K\n0.240847 0.009153 0.625000 K\n0.009153 0.625000 0.240847 K\n0.990847 0.125000 0.259153 K\n0.125000 0.259153 0.990847 K\n0.875000 0.759153 0.509153 K\n0.259153 0.990847 0.125000 K\n0.740847 0.490847 0.375000 K\n0.509153 0.875000 0.759153 K\n0.490847 0.375000 0.740847 K\n0.625000 0.240847 0.009153 K\n0.375000 0.740847 0.490847 K\n0.875000 0.375000 0.125000 Na\n0.125000 0.875000 0.375000 Na\n0.375000 0.125000 0.875000 Na\n0.625000 0.625000 0.625000 Na\n0.239485 0.739485 0.760515 Fe\n0.760515 0.239485 0.739485 Fe\n0.739485 0.760515 0.239485 Fe\n0.260515 0.260515 0.260515 Fe\n0.510515 0.010515 0.489485 Fe\n0.010515 0.489485 0.510515 Fe\n0.489485 0.510515 0.010515 Fe\n0.989485 0.989485 0.989485 Fe\n0.270305 0.801028 0.955272 C\n0.729695 0.301028 0.544728 C\n0.301028 0.544728 0.729695 C\n0.698972 0.044728 0.770305 C\n0.044728 0.770305 0.698972 C\n0.955272 0.270305 0.801028 C\n0.770305 0.698972 0.044728 C\n0.229695 0.198972 0.455272 C\n0.801028 0.955272 0.270305 C\n0.198972 0.455272 0.229695 C\n0.544728 0.729695 0.301028 C\n0.455272 0.229695 0.198972 C\n0.448972 0.979695 0.294728 C\n0.948972 0.520305 0.705272 C\n0.551028 0.479695 0.205272 C\n0.051028 0.020305 0.794728 C\n0.520305 0.705272 0.948972 C\n0.479695 0.205272 0.551028 C\n0.979695 0.294728 0.448972 C\n0.020305 0.794728 0.051028 C\n0.705272 0.948972 0.520305 C\n0.205272 0.551028 0.479695 C\n0.294728 0.448972 0.979695 C\n0.794728 0.051028 0.020305 C\n0.306522 0.886604 0.891321 C\n0.693478 0.386604 0.608679 C\n0.386604 0.608679 0.693478 C\n0.613396 0.108679 0.806522 C\n0.108679 0.806522 0.613396 C\n0.891321 0.306522 0.886604 C\n0.806522 0.613396 0.108679 C\n0.193478 0.113396 0.391321 C\n0.886604 0.891321 0.306522 C\n0.113396 0.391321 0.193478 C\n0.608679 0.693478 0.386604 C\n0.391321 0.193478 0.113396 C\n0.363396 0.943478 0.358679 C\n0.863396 0.556522 0.641321 C\n0.636604 0.443478 0.141321 C\n0.136604 0.056522 0.858679 C\n0.556522 0.641321 0.863396 C\n0.443478 0.141321 0.636604 C\n0.943478 0.358679 0.363396 C\n0.056522 0.858679 0.136604 C\n0.641321 0.863396 0.556522 C\n0.141321 0.636604 0.443478 C\n0.358679 0.363396 0.943478 C\n0.858679 0.136604 0.056522 C\n0.247699 0.724227 0.906859 O\n0.752301 0.224227 0.593141 O\n0.224227 0.593141 0.752301 O\n0.775773 0.093141 0.747699 O\n0.093141 0.747699 0.775773 O\n0.906859 0.247699 0.724227 O\n0.747699 0.775773 0.093141 O\n0.252301 0.275773 0.406859 O\n0.724227 0.906859 0.247699 O\n0.275773 0.406859 0.252301 O\n0.593141 0.752301 0.224227 O\n0.406859 0.252301 0.275773 O\n0.525773 0.002301 0.343141 O\n0.025773 0.497699 0.656859 O\n0.474227 0.502301 0.156859 O\n0.974227 0.997699 0.843141 O\n0.497699 0.656859 0.025773 O\n0.502301 0.156859 0.474227 O\n0.002301 0.343141 0.525773 O\n0.997699 0.843141 0.974227 O\n0.656859 0.025773 0.497699 O\n0.156859 0.474227 0.502301 O\n0.343141 0.525773 0.002301 O\n0.843141 0.974227 0.997699 O\n0.295006 0.872363 0.798579 O\n0.704994 0.372363 0.701421 O\n0.372363 0.701421 0.704994 O\n0.627637 0.201421 0.795006 O\n0.201421 0.795006 0.627637 O\n0.798579 0.295006 0.872363 O\n0.795006 0.627637 0.201421 O\n0.204994 0.127637 0.298579 O\n0.872363 0.798579 0.295006 O\n0.127637 0.298579 0.204994 O\n0.701421 0.704994 0.372363 O\n0.298579 0.204994 0.127637 O\n0.377637 0.954994 0.451421 O\n0.877637 0.545006 0.548579 O\n0.622363 0.454994 0.048579 O\n0.122363 0.045006 0.951421 O\n0.545006 0.548579 0.877637 O\n0.454994 0.048579 0.622363 O\n0.954994 0.451421 0.377637 O\n0.045006 0.951421 0.122363 O\n0.548579 0.877637 0.545006 O\n0.048579 0.622363 0.454994 O\n0.451421 0.377637 0.954994 O\n0.951421 0.122363 0.045006 O\n0.265548 0.810140 0.044695 O\n0.734452 0.310140 0.455305 O\n0.310140 0.455305 0.734452 O\n0.689860 0.955305 0.765548 O\n0.955305 0.765548 0.689860 O\n0.044695 0.265548 0.810140 O\n0.765548 0.689860 0.955305 O\n0.234452 0.189860 0.544695 O\n0.810140 0.044695 0.265548 O\n0.189860 0.544695 0.234452 O\n0.455305 0.734452 0.310140 O\n0.544695 0.234452 0.189860 O\n0.439860 0.984452 0.205305 O\n0.939860 0.515548 0.794695 O\n0.560140 0.484452 0.294695 O\n0.060140 0.015548 0.705305 O\n0.515548 0.794695 0.939860 O\n0.484452 0.294695 0.560140 O\n0.984452 0.205305 0.439860 O\n0.015548 0.705305 0.060140 O\n0.794695 0.939860 0.515548 O\n0.294695 0.560140 0.484452 O\n0.205305 0.439860 0.984452 O\n0.705305 0.060140 0.015548 O\n0.343496 0.959107 0.928941 O\n0.656504 0.459107 0.571059 O\n0.459107 0.571059 0.656504 O\n0.540893 0.071059 0.843496 O\n0.071059 0.843496 0.540893 O\n0.928941 0.343496 0.959107 O\n0.843496 0.540893 0.071059 O\n0.156504 0.040893 0.428941 O\n0.959107 0.928941 0.343496 O\n0.040893 0.428941 0.156504 O\n0.571059 0.656504 0.459107 O\n0.428941 0.156504 0.040893 O\n0.290893 0.906504 0.321059 O\n0.790893 0.593496 0.678941 O\n0.709107 0.406504 0.178941 O\n0.209107 0.093496 0.821059 O\n0.593496 0.678941 0.790893 O\n0.406504 0.178941 0.709107 O\n0.906504 0.321059 0.290893 O\n0.093496 0.821059 0.209107 O\n0.678941 0.790893 0.593496 O\n0.178941 0.709107 0.406504 O\n0.321059 0.290893 0.906504 O\n0.821059 0.209107 0.093496 O\n","nsites":176,"nelements":5,"elements":["K","Na","Fe","C","O"],"chemical_system":"C-Fe-K-Na-O","density":2.1677393884156353,"density_atomic":0.06692355290146132,"volume":2629.8663530183994,"volume_molar":8.998537135150372,"formula_full":"K20 Na4 Fe8 C48 O96","formula_reduced":"K5NaFe2(CO2)12","formula_anonymous":"AB2C5D12E24","energy":-1327.34250593,"energy_per_atom":-7.541718783693182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1243.34250593,"band_gap":0.0135,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0000053,"is_theoretical":false,"updated_at":"2021-11-28T01:37:26.120000Z","spacegroup":212},{"id":"mp-1197792","created_at":"2022-09-04T14:47:25.354917Z","structure_string":"Ca8 Fe24 P24 H16 O104\n1.0\n0.000000 -11.796667 0.000000\n-12.731824 -0.000000 0.000000\n0.000000 0.000000 -12.846413\nCa Fe P H O\n8 24 24 16 104\ndirect\n0.001236 0.243683 0.875620 Ca\n0.498764 0.743683 0.124380 Ca\n0.501236 0.756317 0.624380 Ca\n0.998764 0.256317 0.375620 Ca\n0.998764 0.756317 0.124380 Ca\n0.501236 0.256317 0.875620 Ca\n0.498764 0.243683 0.375620 Ca\n0.001236 0.743683 0.624380 Ca\n0.237369 0.147856 0.708883 Fe\n0.262631 0.647856 0.291117 Fe\n0.737369 0.852144 0.791117 Fe\n0.762631 0.352144 0.208883 Fe\n0.762631 0.852144 0.291117 Fe\n0.737369 0.352144 0.708883 Fe\n0.262631 0.147856 0.208883 Fe\n0.237369 0.647856 0.791117 Fe\n0.965477 0.989769 0.714806 Fe\n0.534523 0.489769 0.285194 Fe\n0.465477 0.010231 0.785194 Fe\n0.034523 0.510231 0.214806 Fe\n0.034523 0.010231 0.285194 Fe\n0.465477 0.510231 0.714806 Fe\n0.534523 0.989769 0.214806 Fe\n0.965477 0.489769 0.785194 Fe\n0.771224 0.171480 0.040852 Fe\n0.728776 0.671480 0.959148 Fe\n0.271224 0.828520 0.459148 Fe\n0.228776 0.328520 0.540852 Fe\n0.228776 0.828520 0.959148 Fe\n0.271224 0.328520 0.040852 Fe\n0.728776 0.171480 0.540852 Fe\n0.771224 0.671480 0.459148 Fe\n0.232161 0.887744 0.701256 P\n0.267839 0.387744 0.298744 P\n0.732161 0.112256 0.798744 P\n0.767839 0.612256 0.201256 P\n0.767839 0.112256 0.298744 P\n0.732161 0.612256 0.701256 P\n0.267839 0.887744 0.201256 P\n0.232161 0.387744 0.798744 P\n0.762452 0.904994 0.556624 P\n0.737548 0.404994 0.443376 P\n0.262452 0.095006 0.943376 P\n0.237548 0.595006 0.056624 P\n0.237548 0.095006 0.443376 P\n0.262452 0.595006 0.556624 P\n0.737548 0.904994 0.056624 P\n0.762452 0.404994 0.943376 P\n0.978312 0.236322 0.624297 P\n0.521688 0.736322 0.375703 P\n0.478312 0.763678 0.875703 P\n0.021688 0.263678 0.124297 P\n0.021688 0.763678 0.375703 P\n0.478312 0.263678 0.624297 P\n0.521688 0.236322 0.124297 P\n0.978312 0.736322 0.875703 P\n0.067037 0.002980 0.910475 H\n0.432963 0.502980 0.089525 H\n0.567037 0.997020 0.589525 H\n0.932963 0.497020 0.410475 H\n0.932963 0.997020 0.089525 H\n0.567037 0.497020 0.910475 H\n0.432963 0.002980 0.410475 H\n0.067037 0.502980 0.589525 H\n0.931100 0.998880 0.918825 H\n0.568900 0.498880 0.081175 H\n0.431100 0.001120 0.581175 H\n0.068900 0.501120 0.418825 H\n0.068900 0.001120 0.081175 H\n0.431100 0.501120 0.918825 H\n0.568900 0.998880 0.418825 H\n0.931100 0.498880 0.581175 H\n0.801754 0.170748 0.884538 O\n0.698246 0.670748 0.115462 O\n0.301754 0.829252 0.615462 O\n0.198246 0.329252 0.384538 O\n0.198246 0.829252 0.115462 O\n0.301754 0.329252 0.884538 O\n0.698246 0.170748 0.384538 O\n0.801754 0.670748 0.615462 O\n0.603823 0.182217 0.045700 O\n0.896177 0.682217 0.954300 O\n0.103823 0.817783 0.454300 O\n0.396177 0.317783 0.545700 O\n0.396177 0.817783 0.954300 O\n0.103823 0.317783 0.045700 O\n0.896177 0.182217 0.545700 O\n0.603823 0.682217 0.454300 O\n0.771017 0.183109 0.199380 O\n0.728983 0.683109 0.800620 O\n0.271017 0.816891 0.300620 O\n0.228983 0.316891 0.699380 O\n0.228983 0.816891 0.800620 O\n0.271017 0.316891 0.199380 O\n0.728983 0.183109 0.699380 O\n0.771017 0.683109 0.300620 O\n0.790524 0.015051 0.033442 O\n0.709476 0.515051 0.966558 O\n0.290524 0.984949 0.466558 O\n0.209476 0.484949 0.533442 O\n0.209476 0.984949 0.966558 O\n0.290524 0.484949 0.033442 O\n0.709476 0.015051 0.533442 O\n0.790524 0.515051 0.466558 O\n0.940797 0.200093 0.051158 O\n0.559203 0.700093 0.948842 O\n0.440797 0.799907 0.448842 O\n0.059203 0.299907 0.551158 O\n0.059203 0.799907 0.948842 O\n0.440797 0.299907 0.051158 O\n0.559203 0.200093 0.551158 O\n0.940797 0.700093 0.448842 O\n0.758081 0.338260 0.045161 O\n0.741919 0.838260 0.954839 O\n0.258081 0.661740 0.454839 O\n0.241919 0.161740 0.545161 O\n0.241919 0.661740 0.954839 O\n0.258081 0.161740 0.045161 O\n0.741919 0.338260 0.545161 O\n0.758081 0.838260 0.454839 O\n0.421295 0.187962 0.703353 O\n0.078705 0.687962 0.296647 O\n0.921295 0.812038 0.796647 O\n0.578705 0.312038 0.203353 O\n0.578705 0.812038 0.296647 O\n0.921295 0.312038 0.703353 O\n0.078705 0.187962 0.203353 O\n0.421295 0.687962 0.796647 O\n0.183446 0.147762 0.862163 O\n0.316554 0.647762 0.137837 O\n0.683446 0.852238 0.637837 O\n0.816554 0.352238 0.362163 O\n0.816554 0.852238 0.137837 O\n0.683446 0.352238 0.862163 O\n0.316554 0.147762 0.362163 O\n0.183446 0.647762 0.637837 O\n0.294094 0.991174 0.728018 O\n0.205906 0.491174 0.271982 O\n0.794094 0.008826 0.771982 O\n0.705906 0.508826 0.228018 O\n0.705906 0.008826 0.271982 O\n0.794094 0.508826 0.728018 O\n0.205906 0.991174 0.228018 O\n0.294094 0.491174 0.771982 O\n0.039433 0.149670 0.689846 O\n0.460567 0.649670 0.310154 O\n0.539433 0.850330 0.810154 O\n0.960567 0.350330 0.189846 O\n0.960567 0.850330 0.310154 O\n0.539433 0.350330 0.689846 O\n0.460567 0.149670 0.189846 O\n0.039433 0.649670 0.810154 O\n0.994661 0.027360 0.878765 O\n0.505339 0.527360 0.121235 O\n0.494661 0.972640 0.621235 O\n0.005339 0.472640 0.378765 O\n0.005339 0.972640 0.121235 O\n0.494661 0.472640 0.878765 O\n0.505339 0.027360 0.378765 O\n0.994661 0.527360 0.621235 O\n0.886416 0.909471 0.594341 O\n0.613584 0.409471 0.405659 O\n0.386416 0.090529 0.905659 O\n0.113584 0.590529 0.094341 O\n0.113584 0.090529 0.405659 O\n0.386416 0.590529 0.594341 O\n0.613584 0.909471 0.094341 O\n0.886416 0.409471 0.905659 O\n0.110104 0.906748 0.664913 O\n0.389896 0.406748 0.335087 O\n0.610104 0.093252 0.835087 O\n0.889896 0.593252 0.164913 O\n0.889896 0.093252 0.335087 O\n0.610104 0.593252 0.664913 O\n0.389896 0.906748 0.164913 O\n0.110104 0.406748 0.835087 O\n","nsites":176,"nelements":5,"elements":["Ca","Fe","P","H","O"],"chemical_system":"Ca-Fe-H-O-P","density":3.5151110059275,"density_atomic":0.09121806200600234,"volume":1929.4424385865468,"volume_molar":6.601917019026046,"formula_full":"Ca8 Fe24 P24 H16 O104","formula_reduced":"CaFe3P3H2O13","formula_anonymous":"AB2C3D3E13","energy":-1333.94949519,"energy_per_atom":-7.579258495397728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1208.35749519,"band_gap":1.6496999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":104.0000089,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.224000Z","spacegroup":61},{"id":"mp-744397","created_at":"2022-09-04T14:42:39.757727Z","structure_string":"Co8 H84 S12 N24 O48\n1.0\n10.124140 0.000000 -5.070702\n0.000000 10.032462 0.000000\n-0.207559 0.000000 15.899100\nCo H S N O\n8 84 12 24 48\ndirect\n0.265344 0.458492 0.758268 Co\n0.734656 0.958492 0.741732 Co\n0.734656 0.541508 0.241732 Co\n0.265344 0.041508 0.258268 Co\n0.995336 0.461555 0.674936 Co\n0.004664 0.961555 0.825064 Co\n0.004664 0.538445 0.325064 Co\n0.995336 0.038445 0.174936 Co\n0.124592 0.376738 0.858557 H\n0.875408 0.876738 0.641443 H\n0.875408 0.623262 0.141443 H\n0.124592 0.123262 0.358557 H\n0.125661 0.656717 0.694800 H\n0.874339 0.156717 0.805200 H\n0.874339 0.343283 0.305200 H\n0.125661 0.843283 0.194800 H\n0.134867 0.328027 0.613897 H\n0.865133 0.828027 0.886103 H\n0.865133 0.671973 0.386103 H\n0.134867 0.171973 0.113897 H\n0.363215 0.573873 0.658390 H\n0.636785 0.073873 0.841610 H\n0.636785 0.426127 0.341610 H\n0.363215 0.926127 0.158390 H\n0.385289 0.676656 0.748817 H\n0.614711 0.176656 0.751183 H\n0.614711 0.323344 0.251183 H\n0.385289 0.823344 0.248817 H\n0.487602 0.548191 0.762935 H\n0.512398 0.048191 0.737065 H\n0.512398 0.451809 0.237065 H\n0.487602 0.951809 0.262935 H\n0.373049 0.414945 0.938621 H\n0.626951 0.914945 0.561379 H\n0.626951 0.585055 0.061379 H\n0.373049 0.085055 0.438621 H\n0.353954 0.579618 0.918942 H\n0.646046 0.079618 0.581058 H\n0.646046 0.420382 0.081058 H\n0.353954 0.920382 0.418942 H\n0.476029 0.499524 0.910375 H\n0.523971 0.999524 0.589625 H\n0.523971 0.500476 0.089625 H\n0.476029 0.000476 0.410375 H\n0.472413 0.316643 0.811491 H\n0.527587 0.816643 0.688509 H\n0.527587 0.683357 0.188509 H\n0.472413 0.183357 0.311491 H\n0.364132 0.274283 0.700901 H\n0.635868 0.774283 0.799099 H\n0.635868 0.725717 0.299099 H\n0.364132 0.225717 0.200901 H\n0.348147 0.220410 0.795592 H\n0.651853 0.720410 0.704408 H\n0.651853 0.779590 0.204408 H\n0.348147 0.279590 0.295592 H\n0.920082 0.497139 0.800965 H\n0.079918 0.997139 0.699035 H\n0.079918 0.502861 0.199035 H\n0.920082 0.002861 0.300965 H\n0.789137 0.449098 0.703017 H\n0.210863 0.949098 0.796983 H\n0.210863 0.550902 0.296983 H\n0.789137 0.050902 0.203017 H\n0.839968 0.600649 0.711751 H\n0.160032 0.100649 0.788249 H\n0.160032 0.399351 0.288249 H\n0.839968 0.899351 0.211751 H\n0.912232 0.556840 0.519652 H\n0.087768 0.056840 0.980348 H\n0.087768 0.443160 0.480348 H\n0.912232 0.943160 0.019652 H\n0.928216 0.744841 0.212218 H\n0.071784 0.244841 0.287782 H\n0.071784 0.255159 0.787782 H\n0.928216 0.755159 0.712218 H\n0.809157 0.590009 0.560551 H\n0.190843 0.090009 0.939449 H\n0.190843 0.409991 0.439449 H\n0.809157 0.909991 0.060551 H\n0.869287 0.241832 0.642168 H\n0.130713 0.741832 0.857832 H\n0.130713 0.758168 0.357832 H\n0.869287 0.258168 0.142168 H\n0.913531 0.271958 0.557990 H\n0.086469 0.771958 0.942010 H\n0.086469 0.728042 0.442010 H\n0.913531 0.228042 0.057990 H\n0.785267 0.348940 0.558265 H\n0.214733 0.848940 0.941735 H\n0.214733 0.651060 0.441735 H\n0.785267 0.151060 0.058265 H\n0.470123 0.406365 0.521422 S\n0.529877 0.906365 0.978578 S\n0.529877 0.593635 0.478578 S\n0.470123 0.093635 0.021422 S\n0.210504 0.081403 0.548438 S\n0.789496 0.581403 0.951562 S\n0.789496 0.918597 0.451562 S\n0.210504 0.418597 0.048438 S\n0.268617 0.886053 0.617961 S\n0.731383 0.386053 0.882039 S\n0.731383 0.113947 0.382039 S\n0.268617 0.613947 0.117961 S\n0.390779 0.580650 0.729391 N\n0.609221 0.080650 0.770609 N\n0.609221 0.419350 0.270609 N\n0.390779 0.919350 0.229391 N\n0.378979 0.491850 0.898022 N\n0.621021 0.991850 0.601978 N\n0.621021 0.508150 0.101978 N\n0.378979 0.008150 0.398022 N\n0.373388 0.299653 0.766231 N\n0.626612 0.799653 0.733769 N\n0.626612 0.700347 0.233769 N\n0.373388 0.200347 0.266231 N\n0.874527 0.505445 0.728584 N\n0.125473 0.005445 0.771416 N\n0.125473 0.494555 0.271416 N\n0.874527 0.994555 0.228584 N\n0.908965 0.588293 0.579932 N\n0.091035 0.088293 0.920068 N\n0.091035 0.411707 0.420068 N\n0.908965 0.911707 0.079932 N\n0.879925 0.315818 0.601365 N\n0.120075 0.815818 0.898635 N\n0.120075 0.684182 0.398635 N\n0.879925 0.184182 0.101365 N\n0.111149 0.343164 0.793892 O\n0.888851 0.843164 0.706108 O\n0.888851 0.656836 0.206108 O\n0.111149 0.156836 0.293892 O\n0.135996 0.597172 0.747128 O\n0.864004 0.097172 0.752872 O\n0.864004 0.402828 0.252872 O\n0.135996 0.902828 0.247128 O\n0.131691 0.420102 0.635238 O\n0.868309 0.920102 0.864762 O\n0.868309 0.579898 0.364762 O\n0.131691 0.079898 0.135238 O\n0.150446 0.808620 0.600914 O\n0.849554 0.308620 0.899086 O\n0.849554 0.191380 0.399086 O\n0.150446 0.691380 0.100914 O\n0.347710 0.831048 0.573882 O\n0.652290 0.331048 0.926118 O\n0.652290 0.168952 0.426118 O\n0.347710 0.668952 0.073882 O\n0.350725 0.924629 0.717334 O\n0.649275 0.424629 0.782666 O\n0.649275 0.075371 0.282666 O\n0.350725 0.575371 0.217334 O\n0.341209 0.140643 0.573911 O\n0.658791 0.640643 0.926089 O\n0.658791 0.859357 0.426089 O\n0.341209 0.359357 0.073911 O\n0.134871 0.150556 0.589753 O\n0.865129 0.650556 0.910247 O\n0.865129 0.849444 0.410247 O\n0.134871 0.349444 0.089753 O\n0.133515 0.050277 0.446577 O\n0.866485 0.550277 0.053423 O\n0.866485 0.949723 0.553423 O\n0.133515 0.449723 0.946577 O\n0.398471 0.450282 0.573396 O\n0.601529 0.950282 0.926604 O\n0.601529 0.549718 0.426604 O\n0.398471 0.049718 0.073396 O\n0.382569 0.339430 0.431259 O\n0.617431 0.839430 0.068741 O\n0.617431 0.660570 0.568741 O\n0.382569 0.160570 0.931259 O\n0.595411 0.335649 0.578375 O\n0.404589 0.835649 0.921625 O\n0.404589 0.664351 0.421625 O\n0.595411 0.164351 0.078375 O\n","nsites":176,"nelements":5,"elements":["Co","H","S","N","O"],"chemical_system":"Co-H-N-O-S","density":2.1167161438581523,"density_atomic":0.10970424314362945,"volume":1604.313515654753,"volume_molar":5.489432849115562,"formula_full":"Co8 H84 S12 N24 O48","formula_reduced":"Co2H21S3(NO2)6","formula_anonymous":"A2B3C6D12E21","energy":-991.99953343,"energy_per_atom":-5.636360985397728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-937.25553343,"band_gap":1.1221,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0589982,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.263000Z","spacegroup":14},{"id":"mp-1205271","created_at":"2022-09-04T14:40:36.225900Z","structure_string":"Na8 Cu4 P16 H72 N16 O60\n1.0\n6.445836 0.000000 0.000000\n0.000000 14.723626 0.000000\n0.000000 0.000000 19.054994\nNa Cu P H N O\n8 4 16 72 16 60\ndirect\n0.704279 0.250000 0.748160 Na\n0.204279 0.250000 0.751840 Na\n0.295721 0.750000 0.251840 Na\n0.795721 0.750000 0.248160 Na\n0.671046 0.250000 0.336796 Na\n0.171046 0.250000 0.163204 Na\n0.328954 0.750000 0.663204 Na\n0.828954 0.750000 0.836796 Na\n0.499580 0.250000 0.027841 Cu\n0.999580 0.250000 0.472159 Cu\n0.500420 0.750000 0.972159 Cu\n0.000420 0.750000 0.527841 Cu\n0.548874 0.060769 0.107098 P\n0.048874 0.439231 0.392902 P\n0.451126 0.560769 0.892902 P\n0.951126 0.939231 0.607098 P\n0.451126 0.939231 0.892902 P\n0.951126 0.560769 0.607098 P\n0.548874 0.439231 0.107098 P\n0.048874 0.060769 0.392902 P\n0.724828 0.081247 0.961672 P\n0.224828 0.418753 0.538328 P\n0.275172 0.581247 0.038328 P\n0.775172 0.918753 0.461672 P\n0.275172 0.918753 0.038328 P\n0.775172 0.581247 0.461672 P\n0.724828 0.418753 0.961672 P\n0.224828 0.081247 0.538328 P\n0.817224 0.515664 0.052305 H\n0.317224 0.984336 0.447695 H\n0.182776 0.015664 0.947695 H\n0.682776 0.484336 0.552305 H\n0.182776 0.484336 0.947695 H\n0.682776 0.015664 0.552305 H\n0.817224 0.984336 0.052305 H\n0.317224 0.515664 0.447695 H\n0.713047 0.021774 0.370984 H\n0.213047 0.478226 0.129016 H\n0.286953 0.521774 0.629016 H\n0.786953 0.978226 0.870984 H\n0.286953 0.978226 0.629016 H\n0.786953 0.521774 0.870984 H\n0.713047 0.478226 0.370984 H\n0.213047 0.021774 0.129016 H\n0.578987 0.586536 0.193602 H\n0.078987 0.913464 0.306398 H\n0.421013 0.086536 0.806398 H\n0.921013 0.413464 0.693602 H\n0.421013 0.413464 0.806398 H\n0.921013 0.086536 0.693602 H\n0.578987 0.913464 0.193602 H\n0.078987 0.586536 0.306398 H\n0.524099 0.663282 0.141694 H\n0.024099 0.836718 0.358306 H\n0.475901 0.163282 0.858306 H\n0.975901 0.336718 0.641694 H\n0.475901 0.336718 0.858306 H\n0.975901 0.163282 0.641694 H\n0.524099 0.836718 0.141694 H\n0.024099 0.663282 0.358306 H\n0.544874 0.697104 0.376204 H\n0.044874 0.802896 0.123796 H\n0.455126 0.197104 0.623796 H\n0.955126 0.302896 0.876204 H\n0.455126 0.302896 0.623796 H\n0.955126 0.197104 0.876204 H\n0.544874 0.802896 0.376204 H\n0.044874 0.697104 0.123796 H\n0.575802 0.196898 0.494996 H\n0.075802 0.303102 0.005004 H\n0.424198 0.696898 0.505004 H\n0.924198 0.803102 0.994996 H\n0.424198 0.803102 0.505004 H\n0.924198 0.696898 0.994996 H\n0.575802 0.303102 0.494996 H\n0.075802 0.196898 0.005004 H\n0.593065 0.066871 0.261554 H\n0.093065 0.433129 0.238446 H\n0.406935 0.566871 0.738446 H\n0.906935 0.933129 0.761554 H\n0.406935 0.933129 0.738446 H\n0.906935 0.566871 0.761554 H\n0.593065 0.433129 0.261554 H\n0.093065 0.066871 0.238446 H\n0.917341 0.064934 0.182072 H\n0.417341 0.435066 0.317928 H\n0.082659 0.564934 0.817928 H\n0.582659 0.935066 0.682072 H\n0.082659 0.935066 0.817928 H\n0.582659 0.564934 0.682072 H\n0.917341 0.435066 0.182072 H\n0.417341 0.064934 0.317928 H\n0.718826 0.198544 0.189678 H\n0.218826 0.301456 0.310322 H\n0.281174 0.698544 0.810322 H\n0.781174 0.801456 0.689678 H\n0.281174 0.801456 0.810322 H\n0.781174 0.698544 0.689678 H\n0.718826 0.301456 0.189678 H\n0.218826 0.198544 0.310322 H\n0.711526 0.035408 0.042484 N\n0.211526 0.464592 0.457516 N\n0.288474 0.535408 0.957516 N\n0.788474 0.964592 0.542484 N\n0.288474 0.964592 0.957516 N\n0.788474 0.535408 0.542484 N\n0.711526 0.464592 0.042484 N\n0.211526 0.035408 0.457516 N\n0.831370 0.001168 0.405144 N\n0.331370 0.498832 0.094856 N\n0.168630 0.501168 0.594856 N\n0.668630 0.998832 0.905144 N\n0.168630 0.998832 0.594856 N\n0.668630 0.501168 0.905144 N\n0.831370 0.498832 0.405144 N\n0.331370 0.001168 0.094856 N\n0.651520 0.032600 0.175816 O\n0.151520 0.467400 0.324184 O\n0.348480 0.532600 0.824184 O\n0.848480 0.967400 0.675816 O\n0.348480 0.967400 0.824184 O\n0.848480 0.532600 0.675816 O\n0.651520 0.467400 0.175816 O\n0.151520 0.032600 0.324184 O\n0.992822 0.161685 0.393823 O\n0.492822 0.338315 0.106177 O\n0.007178 0.661685 0.606177 O\n0.507178 0.838315 0.893823 O\n0.007178 0.838315 0.606177 O\n0.507178 0.661685 0.893823 O\n0.992822 0.338315 0.393823 O\n0.492822 0.161685 0.106177 O\n0.553868 0.153756 0.957818 O\n0.053868 0.346244 0.542182 O\n0.446132 0.653756 0.042182 O\n0.946132 0.846244 0.457818 O\n0.446132 0.846244 0.042182 O\n0.946132 0.653756 0.457818 O\n0.553868 0.346244 0.957818 O\n0.053868 0.153756 0.542182 O\n0.553733 0.609865 0.446612 O\n0.053733 0.890135 0.053388 O\n0.446267 0.109865 0.553388 O\n0.946267 0.390135 0.946612 O\n0.446267 0.390135 0.553388 O\n0.946267 0.109865 0.946612 O\n0.553733 0.890135 0.446612 O\n0.053733 0.609865 0.053388 O\n0.547494 0.652161 0.191986 O\n0.047494 0.847839 0.308014 O\n0.452506 0.152161 0.808014 O\n0.952506 0.347839 0.691986 O\n0.452506 0.347839 0.808014 O\n0.952506 0.152161 0.691986 O\n0.547494 0.847839 0.191986 O\n0.047494 0.652161 0.308014 O\n0.954560 0.250000 0.844252 O\n0.454560 0.250000 0.655748 O\n0.045440 0.750000 0.155748 O\n0.545440 0.750000 0.344252 O\n0.632706 0.250000 0.469562 O\n0.132706 0.250000 0.030438 O\n0.367294 0.750000 0.530438 O\n0.867294 0.750000 0.969562 O\n0.563465 0.083935 0.310976 O\n0.063465 0.416065 0.189024 O\n0.436535 0.583935 0.689024 O\n0.936535 0.916065 0.810976 O\n0.436535 0.916065 0.689024 O\n0.936535 0.583935 0.810976 O\n0.563465 0.416065 0.310976 O\n0.063465 0.083935 0.189024 O\n0.788874 0.250000 0.211950 O\n0.288874 0.250000 0.288050 O\n0.211126 0.750000 0.788050 O\n0.711126 0.750000 0.711950 O\n","nsites":176,"nelements":6,"elements":["Na","Cu","P","H","N","O"],"chemical_system":"Cu-H-N-Na-O-P","density":2.0111981331257995,"density_atomic":0.09732173048511722,"volume":1808.4347567875864,"volume_molar":6.187868557188188,"formula_full":"Na8 Cu4 P16 H72 N16 O60","formula_reduced":"Na2CuP4H18N4O15","formula_anonymous":"AB2C4D4E15F18","energy":-1045.16549588,"energy_per_atom":-5.9384403175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-998.16949588,"band_gap":1.1201,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0546972,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.890000Z","spacegroup":62},{"id":"mp-730446","created_at":"2022-09-04T14:46:00.285559Z","structure_string":"Al8 H80 S8 O72 F8\n1.0\n10.896692 0.000000 0.000000\n0.000000 11.328916 0.000000\n0.000000 0.000000 13.108798\nAl H S O F\n8 80 8 72 8\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.651780 0.570923 0.859815 H\n0.848220 0.070923 0.140185 H\n0.151780 0.429077 0.640185 H\n0.348220 0.929077 0.359815 H\n0.348220 0.429077 0.140185 H\n0.151780 0.929077 0.859815 H\n0.848220 0.570923 0.359815 H\n0.651780 0.070923 0.640185 H\n0.600778 0.440684 0.828091 H\n0.899222 0.940684 0.171909 H\n0.100778 0.559316 0.671909 H\n0.399222 0.059316 0.328091 H\n0.399222 0.559316 0.171909 H\n0.100778 0.059316 0.828091 H\n0.899222 0.440684 0.328091 H\n0.600778 0.940684 0.671909 H\n0.040681 0.650443 0.856672 H\n0.459319 0.150443 0.143328 H\n0.540681 0.349557 0.643328 H\n0.959319 0.849557 0.356672 H\n0.959319 0.349557 0.143328 H\n0.540681 0.849557 0.856672 H\n0.459319 0.650443 0.356672 H\n0.040681 0.150443 0.643328 H\n0.895806 0.655073 0.885478 H\n0.604194 0.155073 0.114522 H\n0.395806 0.344927 0.614522 H\n0.104194 0.844927 0.385478 H\n0.104194 0.344927 0.114522 H\n0.395806 0.844927 0.885478 H\n0.604194 0.655073 0.385478 H\n0.895806 0.155073 0.614522 H\n0.963596 0.377419 0.834950 H\n0.536404 0.877419 0.165050 H\n0.463596 0.622581 0.665050 H\n0.036404 0.122581 0.334950 H\n0.036404 0.622581 0.165050 H\n0.463596 0.122581 0.834950 H\n0.536404 0.377419 0.334950 H\n0.963596 0.877419 0.665050 H\n0.110302 0.369094 0.866787 H\n0.389698 0.869094 0.133213 H\n0.610302 0.630906 0.633213 H\n0.889698 0.130906 0.366787 H\n0.889698 0.630906 0.133213 H\n0.610302 0.130906 0.866787 H\n0.389698 0.369094 0.366787 H\n0.110302 0.869094 0.633213 H\n0.280195 0.558590 0.963495 H\n0.219805 0.058590 0.036505 H\n0.780195 0.441410 0.536505 H\n0.719805 0.941410 0.463495 H\n0.719805 0.441410 0.036505 H\n0.780195 0.941410 0.963495 H\n0.219805 0.558590 0.463495 H\n0.280195 0.058590 0.536505 H\n0.365018 0.600182 0.864311 H\n0.134982 0.100182 0.135689 H\n0.865018 0.399818 0.635689 H\n0.634982 0.899818 0.364311 H\n0.634982 0.399818 0.135689 H\n0.865018 0.899818 0.864311 H\n0.134982 0.600182 0.364311 H\n0.365018 0.100182 0.635689 H\n0.365718 0.328945 0.922468 H\n0.134282 0.828945 0.077532 H\n0.865718 0.671055 0.577532 H\n0.634282 0.171055 0.422468 H\n0.634282 0.671055 0.077532 H\n0.865718 0.171055 0.922468 H\n0.134282 0.328945 0.422468 H\n0.365718 0.828945 0.577532 H\n0.470234 0.274433 0.999671 H\n0.029766 0.774433 0.000329 H\n0.970234 0.725567 0.500329 H\n0.529766 0.225567 0.499671 H\n0.529766 0.725567 0.000329 H\n0.970234 0.225567 0.999671 H\n0.029766 0.274433 0.499671 H\n0.470234 0.774433 0.500329 H\n0.246920 0.738753 0.747791 S\n0.253080 0.238753 0.252209 S\n0.746920 0.261247 0.752209 S\n0.753080 0.761247 0.247791 S\n0.753080 0.261247 0.252209 S\n0.746920 0.761247 0.747791 S\n0.253080 0.738753 0.247791 S\n0.246920 0.238753 0.752209 S\n0.131113 0.668533 0.756895 O\n0.368887 0.168533 0.243105 O\n0.631113 0.331467 0.743105 O\n0.868887 0.831467 0.256895 O\n0.868887 0.331467 0.243105 O\n0.631113 0.831467 0.756895 O\n0.368887 0.668533 0.256895 O\n0.131113 0.168533 0.743105 O\n0.244340 0.804757 0.649158 O\n0.255660 0.304757 0.350842 O\n0.744340 0.195243 0.850842 O\n0.755660 0.695243 0.149158 O\n0.755660 0.195243 0.350842 O\n0.744340 0.695243 0.649158 O\n0.255660 0.804757 0.149158 O\n0.244340 0.304757 0.850842 O\n0.355927 0.659183 0.750266 O\n0.144073 0.159183 0.249734 O\n0.855927 0.340817 0.749734 O\n0.644073 0.840817 0.250266 O\n0.644073 0.340817 0.249734 O\n0.855927 0.840817 0.750266 O\n0.144073 0.659183 0.250266 O\n0.355927 0.159183 0.749734 O\n0.255368 0.822411 0.835817 O\n0.244632 0.322411 0.164183 O\n0.755368 0.177589 0.664183 O\n0.744632 0.677589 0.335817 O\n0.744632 0.177589 0.164183 O\n0.755368 0.677589 0.835817 O\n0.244632 0.822411 0.335817 O\n0.255368 0.322411 0.664183 O\n0.586497 0.510591 0.873237 O\n0.913503 0.010591 0.126763 O\n0.086497 0.489409 0.626763 O\n0.413503 0.989409 0.373237 O\n0.413503 0.489409 0.126763 O\n0.086497 0.989409 0.873237 O\n0.913503 0.510591 0.373237 O\n0.586497 0.010591 0.626763 O\n0.980418 0.642507 0.914689 O\n0.519582 0.142507 0.085311 O\n0.480418 0.357493 0.585311 O\n0.019582 0.857493 0.414689 O\n0.019582 0.357493 0.085311 O\n0.480418 0.857493 0.914689 O\n0.519582 0.642507 0.414689 O\n0.980418 0.142507 0.585311 O\n0.029299 0.408310 0.880556 O\n0.470701 0.908310 0.119444 O\n0.529299 0.591690 0.619444 O\n0.970701 0.091690 0.380556 O\n0.970701 0.591690 0.119444 O\n0.529299 0.091690 0.880556 O\n0.470701 0.408310 0.380556 O\n0.029299 0.908310 0.619444 O\n0.365824 0.571737 0.936939 O\n0.134176 0.071737 0.063061 O\n0.865824 0.428263 0.563061 O\n0.634176 0.928263 0.436939 O\n0.634176 0.428263 0.063061 O\n0.865824 0.928263 0.936939 O\n0.134176 0.571737 0.436939 O\n0.365824 0.071737 0.563061 O\n0.440723 0.346183 0.964608 O\n0.059277 0.846183 0.035392 O\n0.940723 0.653817 0.535392 O\n0.559277 0.153817 0.464608 O\n0.559277 0.653817 0.035392 O\n0.940723 0.153817 0.964608 O\n0.059277 0.346183 0.464608 O\n0.440723 0.846183 0.535392 O\n0.159087 0.528230 0.009731 F\n0.340913 0.028230 0.990269 F\n0.659087 0.471770 0.490269 F\n0.840913 0.971770 0.509731 F\n0.840913 0.471770 0.990269 F\n0.659087 0.971770 0.009731 F\n0.340913 0.528230 0.509731 F\n0.159087 0.028230 0.490269 F\n","nsites":176,"nelements":5,"elements":["Al","H","S","O","F"],"chemical_system":"Al-F-H-O-S","density":1.9054772281600163,"density_atomic":0.10875939031712203,"volume":1618.25107226895,"volume_molar":5.537122580809404,"formula_full":"Al8 H80 S8 O72 F8","formula_reduced":"AlH10SO9F","formula_anonymous":"ABCD9E10","energy":-1010.1619371299998,"energy_per_atom":-5.739556460965908,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-957.00193713,"band_gap":5.459199999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.597000Z","spacegroup":61}]}