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Cl\n0.357328 0.768232 0.872239 Cl\n0.014907 0.411669 0.141112 Cl\n0.103720 0.731456 0.088935 Cl\n0.230623 0.603612 0.588538 Cl\n0.125635 0.641303 0.229983 Cl\n0.295707 0.373495 0.978618 Cl\n0.316210 0.521071 0.894352 Cl\n0.199021 0.301859 0.750325 Cl\n0.268803 0.857825 0.372690 Cl\n0.127399 0.206402 0.521342 Cl\n0.394247 0.873561 0.578113 Cl\n0.199637 0.397516 0.448903 Cl\n0.051337 0.102691 0.301652 Cl\n0.479025 0.873409 0.795416 Cl\n0.373524 0.979156 0.295896 Cl\n0.077978 0.204075 0.183530 Cl\n0.589106 0.857777 0.985456 Cl\n0.230969 0.127242 0.642288 Cl\n0.103490 0.302112 0.051033 Cl\n0.300857 0.749896 0.198626 Cl\n0.206293 0.521583 0.127236 Cl\n0.372778 0.269354 0.857827 Cl\n0.514903 0.642301 0.911002 Cl\n0.371965 0.603627 0.514550 Cl\n0.142324 0.014647 0.411398 Cl\n0.396042 0.410796 0.768816 Cl\n0.410830 0.768858 0.396142 Cl\n0.396009 0.485072 0.627156 Cl\n0.293834 0.421182 0.315243 Cl\n0.374197 0.894240 0.077956 Cl\n0.316354 0.295935 0.421782 Cl\n0.698304 0.948660 0.897474 Cl\n0.551023 0.800617 0.602482 Cl\n0.183027 0.077658 0.204365 Cl\n0.577996 0.683881 0.704423 Cl\n0.394631 0.020530 0.816488 Cl\n0.520340 0.894641 0.316614 Cl\n0.203732 0.182844 0.077794 Cl\n0.485143 0.627138 0.396620 Cl\n0.602174 0.551238 0.801261 Cl\n0.552288 0.251138 0.948937 Cl\n0.578834 0.393821 0.872591 Cl\n0.357738 0.088537 0.485061 Cl\n0.641210 0.911107 0.514785 Cl\n0.421996 0.605385 0.125677 Cl\n0.448669 0.750198 0.051019 Cl\n0.396743 0.447827 0.199019 Cl\n0.514791 0.373595 0.603883 Cl\n0.795751 0.816035 0.922134 Cl\n0.478425 0.105660 0.684650 Cl\n0.603421 0.976678 0.183946 Cl\n0.420923 0.315384 0.294137 Cl\n0.816645 0.921877 0.796332 Cl\n0.447650 0.198356 0.396651 Cl\n0.301942 0.050891 0.103325 Cl\n0.683971 0.707573 0.580733 Cl\n0.626423 0.105253 0.922221 Cl\n0.703543 0.578088 0.683268 Cl\n0.604431 0.515715 0.374941 Cl\n0.588301 0.229678 0.603169 Cl\n0.604181 0.588564 0.229035 Cl\n0.859828 0.984705 0.588219 Cl\n0.625931 0.396848 0.485158 Cl\n0.484949 0.358714 0.088610 Cl\n0.626600 0.730083 0.141090 Cl\n0.796277 0.479951 0.874115 Cl\n0.697954 0.249059 0.801364 Cl\n0.897901 0.698662 0.948990 Cl\n0.771618 0.874982 0.359756 Cl\n0.411634 0.140941 0.014889 Cl\n0.919159 0.792544 0.816045 Cl\n0.625528 0.020256 0.703623 Cl\n0.521383 0.127031 0.206046 Cl\n0.806634 0.613484 0.556730 Cl\n0.943123 0.886355 0.693036 Cl\n0.603178 0.126525 0.419424 Cl\n0.873113 0.791575 0.476695 Cl\n0.729404 0.140477 0.624834 Cl\n0.806773 0.693312 0.249978 Cl\n0.683759 0.476702 0.103088 Cl\n0.703588 0.625635 0.020001 Cl\n0.873663 0.358911 0.769911 Cl\n0.772047 0.396860 0.412077 Cl\n0.896280 0.270481 0.911398 Cl\n0.985420 0.589195 0.857436 Cl\n0.641147 0.229487 0.126211 Cl\n0.911717 0.896373 0.270810 Cl\n0.896334 0.126547 0.985179 Cl\n0.911796 0.515171 0.640664 Cl\n0.873166 0.581815 0.396279 Cl\n0.749876 0.193146 0.306576 Cl\n0.749825 0.056687 0.443170 Cl\n0.896406 0.313993 0.523432 Cl\n0.985067 0.896047 0.127853 Cl\n0.860074 0.375283 0.272064 Cl\n0.729817 0.088506 0.104167 Cl\n0.817214 0.395106 0.020963 Cl\n0.919440 0.626810 0.103337 Cl\n0.943169 0.556759 0.249914 Cl\n0.979720 0.184489 0.605482 Cl\n0.896480 0.081916 0.373220 Cl\n0.979942 0.295147 0.374334 Cl\n0.872957 0.014726 0.104117 Cl\n","nsites":177,"nelements":3,"elements":["Li","Nb","Cl"],"chemical_system":"Cl-Li-Nb","density":3.1474695726778537,"density_atomic":0.03822720144351396,"volume":4630.210774428316,"volume_molar":15.753548605692616,"formula_full":"Li9 Nb48 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Al\n0.262159 0.537629 0.806370 Al\n0.262159 0.962371 0.193630 Al\n0.230526 0.596371 0.042671 Al\n0.230526 0.903629 0.957329 Al\n0.769474 0.403629 0.957329 Al\n0.769474 0.096371 0.042671 Al\n0.291608 0.750000 0.500000 Sb\n0.708392 0.250000 0.500000 Sb\n0.047752 0.842938 0.435628 Sb\n0.047752 0.657062 0.564372 Sb\n0.952248 0.157062 0.564372 Sb\n0.952248 0.342938 0.435628 Sb\n0.425963 0.852831 0.412561 Sb\n0.425963 0.647169 0.587439 Sb\n0.574037 0.147169 0.587439 Sb\n0.574037 0.352831 0.412561 Sb\n0.234836 0.712687 0.346098 Sb\n0.234836 0.787313 0.653902 Sb\n0.765164 0.287313 0.653902 Sb\n0.765164 0.212687 0.346098 Sb\n0.084017 0.549354 0.300462 Sb\n0.084017 0.950646 0.699538 Sb\n0.915983 0.450646 0.699538 Sb\n0.915983 0.049354 0.300462 Sb\n0.469853 0.574532 0.300889 Sb\n0.469853 0.925468 0.699111 Sb\n0.530147 0.425468 0.699111 Sb\n0.530147 0.074532 0.300889 Sb\n0.241334 0.627271 0.201285 Sb\n0.241334 0.872729 0.798715 Sb\n0.758666 0.372729 0.798715 Sb\n0.758666 0.127271 0.201285 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Se\n0.734918 0.392695 0.630693 Se\n0.734918 0.107305 0.369307 Se\n0.437038 0.669384 0.267671 Se\n0.437038 0.830616 0.732329 Se\n0.562962 0.330616 0.732329 Se\n0.562962 0.169384 0.267671 Se\n0.031392 0.637844 0.262691 Se\n0.031392 0.862156 0.737309 Se\n0.968608 0.362156 0.737309 Se\n0.968608 0.137844 0.262691 Se\n0.292182 0.510631 0.243175 Se\n0.292182 0.989369 0.756825 Se\n0.707818 0.489369 0.756825 Se\n0.707818 0.010631 0.243175 Se\n0.770303 0.863962 0.983812 Se\n0.770303 0.636038 0.016188 Se\n0.229697 0.136038 0.016188 Se\n0.229697 0.363962 0.983812 Se\n0.575280 0.773766 0.063304 Se\n0.575280 0.726234 0.936696 Se\n0.424720 0.226234 0.936696 Se\n0.424720 0.273766 0.063304 Se\n0.950290 0.808607 0.097013 Se\n0.950290 0.691393 0.902987 Se\n0.049710 0.191393 0.902987 Se\n0.049710 0.308607 0.097013 Se\n0.691261 0.936443 0.113831 Se\n0.691261 0.563557 0.886169 Se\n0.308739 0.063557 0.886169 Se\n0.308739 0.436443 0.113831 Se\n0.199705 0.729716 0.190259 Br\n0.199705 0.770284 0.809741 Br\n0.800295 0.270284 0.809741 Br\n0.800295 0.229716 0.190259 Br\n0.752620 0.712262 0.161574 Br\n0.752620 0.787738 0.838426 Br\n0.247380 0.287738 0.838426 Br\n0.247380 0.212262 0.161574 Br\n0.843785 0.780559 0.350489 Br\n0.843785 0.719441 0.649511 Br\n0.156215 0.219441 0.649511 Br\n0.156215 0.280559 0.350489 Br\n0.548393 0.837895 0.287794 Br\n0.548393 0.662105 0.712206 Br\n0.451607 0.162105 0.712206 Br\n0.451607 0.337895 0.287794 Br\n0.914261 0.856274 0.245702 Br\n0.914261 0.643726 0.754298 Br\n0.085739 0.143726 0.754298 Br\n0.085739 0.356274 0.245702 Br\n0.795953 0.939070 0.371562 Br\n0.795953 0.560930 0.628438 Br\n0.204047 0.060930 0.628438 Br\n0.204047 0.439070 0.371562 Br\n0.683776 0.661553 0.501624 Br\n0.683776 0.838447 0.498376 Br\n0.316224 0.338447 0.498376 Br\n0.316224 0.161553 0.501624 Br\n0.778659 0.624069 0.365934 Br\n0.778659 0.875931 0.634066 Br\n0.221341 0.375931 0.634066 Br\n0.221341 0.124069 0.365934 Br\n0.562721 0.520916 0.420643 Br\n0.562721 0.979084 0.579357 Br\n0.437279 0.479084 0.579357 Br\n0.437279 0.020916 0.420643 Br\n0.942984 0.545036 0.454239 Br\n0.942984 0.954964 0.545761 Br\n0.057016 0.454964 0.545761 Br\n0.057016 0.045036 0.454239 Br\n0.721279 0.458974 0.275446 Br\n0.721279 0.041026 0.724554 Br\n0.278721 0.541026 0.724554 Br\n0.278721 0.958974 0.275446 Br\n0.617724 0.542045 0.181392 Br\n0.617724 0.957955 0.818608 Br\n0.382276 0.457955 0.818608 Br\n0.382276 0.042045 0.181392 Br\n0.664530 0.378252 0.141096 Br\n0.664530 0.121748 0.858904 Br\n0.335470 0.621748 0.858904 Br\n0.335470 0.878252 0.141096 Br\n0.970524 0.475031 0.177268 Br\n0.970524 0.024969 0.822732 Br\n0.029476 0.524969 0.822732 Br\n0.029476 0.975031 0.177268 Br\n0.164889 0.673484 0.007586 Br\n0.164889 0.826516 0.992414 Br\n0.835111 0.326516 0.992414 Br\n0.835111 0.173484 0.007586 Br\n0.431226 0.620628 0.087029 Br\n0.431226 0.879372 0.912971 Br\n0.568774 0.379372 0.912971 Br\n0.568774 0.120628 0.087029 Br\n0.055820 0.578022 0.093613 Br\n0.055820 0.921978 0.906387 Br\n0.944180 0.421978 0.906387 Br\n0.944180 0.078022 0.093613 Br\n0.269894 0.519196 0.978709 Br\n0.269894 0.980804 0.021291 Br\n0.730106 0.480804 0.021291 Br\n0.730106 0.019196 0.978709 Br\n","nsites":176,"nelements":4,"elements":["Al","Sb","Se","Br"],"chemical_system":"Al-Br-Sb-Se","density":3.880584647091189,"density_atomic":0.027705918612095204,"volume":6352.433300051854,"volume_molar":21.735936080354307,"formula_full":"Al16 Sb40 Se48 Br72","formula_reduced":"Al2Sb5(Se2Br3)3","formula_anonymous":"A2B5C6D9","energy":-689.0520045400001,"energy_per_atom":-3.9150682076136367,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-627.94800454,"band_gap":1.81,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:39.061000Z","spacegroup":13},{"id":"mp-1196337","created_at":"2022-09-04T14:41:30.537329Z","structure_string":"Cr8 P8 H96 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O\n0.347715 0.498192 0.377499 O\n0.152285 0.501808 0.877499 O\n0.034564 0.874758 0.075412 O\n0.544192 0.358243 0.413984 O\n0.205463 0.094212 0.293449 O\n0.786215 0.108771 0.703683 O\n0.455808 0.858243 0.586016 O\n0.176332 0.250000 0.981432 O\n0.656267 0.845961 0.100106 O\n0.544192 0.141757 0.413984 O\n0.598447 0.488874 0.775017 O\n0.534564 0.625242 0.424588 O\n","nsites":176,"nelements":3,"elements":["Rb","Ta","O"],"chemical_system":"O-Rb-Ta","density":6.443350969341133,"density_atomic":0.06163018284514568,"volume":2855.7435963190997,"volume_molar":9.771414722444453,"formula_full":"Rb24 Ta40 O112","formula_reduced":"Rb3Ta5O14","formula_anonymous":"A3B5C14","energy":-1608.69895803,"energy_per_atom":-9.140334988806819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1531.75495803,"band_gap":3.6027000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0031931,"is_theoretical":false,"updated_at":"2021-11-28T01:37:24.198000Z","spacegroup":62},{"id":"mp-707478","created_at":"2022-09-04T14:46:01.769542Z","structure_string":"H24 Os20 Pt4 C64 O64\n1.0\n15.689525 0.000000 0.000000\n0.000000 11.944163 0.000000\n0.000000 5.571705 15.516714\nH Os Pt C O\n24 20 4 64 64\ndirect\n0.699830 0.823784 0.249069 H\n0.800170 0.323784 0.749069 H\n0.300170 0.176216 0.750931 H\n0.199830 0.676216 0.250931 H\n0.560505 0.777159 0.335608 H\n0.939495 0.277159 0.835608 H\n0.439495 0.222841 0.664392 H\n0.060505 0.722841 0.164392 H\n0.561746 0.859300 0.163774 H\n0.938254 0.359300 0.663774 H\n0.438254 0.140700 0.836226 H\n0.061746 0.640700 0.336226 H\n0.704948 0.153886 0.277091 H\n0.795052 0.653886 0.777091 H\n0.295052 0.846114 0.722909 H\n0.204948 0.346114 0.222909 H\n0.575756 0.115296 0.353492 H\n0.924244 0.615296 0.853492 H\n0.424244 0.884704 0.646508 H\n0.075756 0.384704 0.146508 H\n0.551366 0.173567 0.165556 H\n0.948634 0.673567 0.665556 H\n0.448634 0.826433 0.834444 H\n0.051366 0.326433 0.334444 H\n0.661346 0.945535 0.155556 Os\n0.838654 0.445535 0.655556 Os\n0.338654 0.054465 0.844444 Os\n0.161346 0.554465 0.344444 Os\n0.660953 0.845733 0.346090 Os\n0.839047 0.345733 0.846090 Os\n0.339047 0.154267 0.653910 Os\n0.160953 0.654267 0.153910 Os\n0.502907 0.894499 0.248271 Os\n0.997093 0.394499 0.748271 Os\n0.497093 0.105501 0.751729 Os\n0.002907 0.605501 0.251729 Os\n0.648720 0.236623 0.333771 Os\n0.851280 0.736623 0.833771 Os\n0.351280 0.763377 0.666229 Os\n0.148720 0.263377 0.166229 Os\n0.550221 0.320601 0.173563 Os\n0.949779 0.820601 0.673563 Os\n0.449779 0.679399 0.826437 Os\n0.050221 0.179399 0.326437 Os\n0.608619 0.072941 0.257090 Pt\n0.891381 0.572941 0.757090 Pt\n0.391381 0.927059 0.742910 Pt\n0.108619 0.427059 0.242910 Pt\n0.619289 0.064264 0.054469 C\n0.880711 0.564264 0.554469 C\n0.380711 0.935736 0.945531 C\n0.119289 0.435736 0.445531 C\n0.706096 0.846563 0.094824 C\n0.793904 0.346563 0.594824 C\n0.293904 0.153437 0.905176 C\n0.206096 0.653437 0.405176 C\n0.767511 0.027760 0.145936 C\n0.732489 0.527760 0.645936 C\n0.232489 0.972240 0.854064 C\n0.267511 0.472240 0.354064 C\n0.693263 0.681830 0.396890 C\n0.806737 0.181830 0.896890 C\n0.306737 0.318170 0.603110 C\n0.193263 0.818170 0.103110 C\n0.768697 0.909577 0.361948 C\n0.731303 0.409577 0.861948 C\n0.231303 0.090423 0.638052 C\n0.268697 0.590423 0.138052 C\n0.615405 0.863017 0.449041 C\n0.884595 0.363017 0.949041 C\n0.384595 0.136983 0.550959 C\n0.115405 0.636983 0.050959 C\n0.441210 0.005598 0.157209 C\n0.058790 0.505598 0.657209 C\n0.558790 0.994402 0.842791 C\n0.941210 0.494402 0.342791 C\n0.438703 0.926716 0.336999 C\n0.061297 0.426716 0.836999 C\n0.561297 0.073284 0.663001 C\n0.938703 0.573284 0.163001 C\n0.434912 0.761540 0.248913 C\n0.065088 0.261540 0.748913 C\n0.565088 0.238460 0.751087 C\n0.934912 0.738460 0.251087 C\n0.578123 0.309747 0.396714 C\n0.921877 0.809747 0.896714 C\n0.421877 0.690253 0.603286 C\n0.078123 0.190253 0.103286 C\n0.714952 0.148068 0.430640 C\n0.785048 0.648068 0.930640 C\n0.285048 0.851932 0.569360 C\n0.214952 0.351932 0.069360 C\n0.721682 0.372837 0.293789 C\n0.778318 0.872837 0.793789 C\n0.278318 0.627163 0.706211 C\n0.221682 0.127163 0.206211 C\n0.487564 0.352904 0.067954 C\n0.012436 0.852904 0.567954 C\n0.512436 0.647096 0.932046 C\n0.987564 0.147096 0.432046 C\n0.451106 0.266874 0.248785 C\n0.048894 0.766874 0.748785 C\n0.548894 0.733126 0.751215 C\n0.951106 0.233126 0.251215 C\n0.553310 0.475107 0.187007 C\n0.946690 0.975107 0.687007 C\n0.446690 0.524893 0.812993 C\n0.053310 0.024893 0.312993 C\n0.662315 0.335275 0.119120 C\n0.837685 0.835275 0.619120 C\n0.337685 0.664725 0.880880 C\n0.162315 0.164725 0.380880 C\n0.593508 0.137279 0.993087 O\n0.906492 0.637279 0.493087 O\n0.406492 0.862721 0.006913 O\n0.093508 0.362721 0.506913 O\n0.737659 0.790247 0.057921 O\n0.762341 0.290247 0.557921 O\n0.262341 0.209753 0.942079 O\n0.237659 0.709753 0.442079 O\n0.831185 0.079423 0.138041 O\n0.668815 0.579423 0.638041 O\n0.168815 0.920577 0.861959 O\n0.331185 0.420577 0.361959 O\n0.713375 0.582768 0.427602 O\n0.786625 0.082768 0.927602 O\n0.286625 0.417232 0.572398 O\n0.213375 0.917232 0.072398 O\n0.834138 0.947577 0.372736 O\n0.665862 0.447577 0.872736 O\n0.165862 0.052423 0.627264 O\n0.334138 0.552423 0.127264 O\n0.585706 0.874889 0.509922 O\n0.914294 0.374889 0.009922 O\n0.414294 0.125111 0.490078 O\n0.085706 0.625111 0.990078 O\n0.405565 0.073880 0.100044 O\n0.094435 0.573880 0.600044 O\n0.594435 0.926120 0.899956 O\n0.905565 0.426120 0.399956 O\n0.400883 0.945591 0.391231 O\n0.099117 0.445591 0.891231 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O\n0.227702 0.161557 0.414063 O\n","nsites":176,"nelements":5,"elements":["H","Os","Pt","C","O"],"chemical_system":"C-H-O-Os-Pt","density":3.6558140095177576,"density_atomic":0.06052675563010789,"volume":2907.8049561350044,"volume_molar":9.949551561631038,"formula_full":"H24 Os20 Pt4 C64 O64","formula_reduced":"H6Os5Pt(CO)16","formula_anonymous":"AB5C6D16E16","energy":-1380.79181469,"energy_per_atom":-7.845408038011363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1336.82381469,"band_gap":3.566,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:18.878000Z","spacegroup":14}]}