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{
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"elements": [
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"volume_molar": 8.385147045524622,
"formula_full": "Cs4 Al4 H96 S8 O80",
"formula_reduced": "CsAlH24(SO10)2",
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"energy": -919.2773506,
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"updated_at": "2021-11-28T01:34:23.981000Z",
"spacegroup": 205
},
{
"id": "mp-1246988",
"created_at": "2022-09-04T14:47:16.410040Z",
"structure_string": "Si40 Pb16 N64\n1.0\n10.960295 0.000000 0.000000\n0.000000 9.892656 0.000000\n0.000000 0.000000 13.874270\nSi Pb N\n40 16 64\ndirect\n0.394969 0.236211 0.837596 Si\n0.894969 0.263789 0.162404 Si\n0.605031 0.736211 0.662404 Si\n0.105031 0.763789 0.337596 Si\n0.605031 0.763789 0.162404 Si\n0.105031 0.736211 0.837596 Si\n0.394969 0.263789 0.337596 Si\n0.894969 0.236211 0.662404 Si\n0.161457 0.231640 0.722761 Si\n0.661457 0.268360 0.277239 Si\n0.838543 0.731640 0.777239 Si\n0.338543 0.768360 0.222761 Si\n0.838543 0.768360 0.277239 Si\n0.338543 0.731640 0.722761 Si\n0.161457 0.268360 0.222761 Si\n0.661457 0.231640 0.777239 Si\n0.254526 0.976460 0.835053 Si\n0.754526 0.523540 0.164947 Si\n0.745474 0.476460 0.664947 Si\n0.245474 0.023540 0.335053 Si\n0.745474 0.023540 0.164947 Si\n0.245474 0.476460 0.835053 Si\n0.254526 0.523540 0.335053 Si\n0.754526 0.976460 0.664947 Si\n0.974375 0.002316 0.792092 Si\n0.474375 0.497684 0.207908 Si\n0.025625 0.502316 0.707908 Si\n0.525625 0.997684 0.292092 Si\n0.025625 0.997684 0.207908 Si\n0.525625 0.502316 0.792092 Si\n0.974375 0.497684 0.292092 Si\n0.474375 0.002316 0.707908 Si\n0.819053 0.139487 0.965849 Si\n0.319053 0.360513 0.034151 Si\n0.180947 0.639487 0.534151 Si\n0.680947 0.860513 0.465849 Si\n0.180947 0.860513 0.034151 Si\n0.680947 0.639487 0.965849 Si\n0.819053 0.360513 0.465849 Si\n0.319053 0.139487 0.534151 Si\n0.101653 0.163566 0.981682 Pb\n0.601653 0.336434 0.018318 Pb\n0.898347 0.663566 0.518318 Pb\n0.398347 0.836434 0.481682 Pb\n0.898347 0.836434 0.018318 Pb\n0.398347 0.663566 0.981682 Pb\n0.101653 0.336434 0.481682 Pb\n0.601653 0.163566 0.518318 Pb\n0.387751 0.070697 0.078684 Pb\n0.887751 0.429303 0.921316 Pb\n0.612249 0.570697 0.421316 Pb\n0.112249 0.929303 0.578684 Pb\n0.612249 0.929303 0.921316 Pb\n0.112249 0.570697 0.078684 Pb\n0.387751 0.429303 0.578684 Pb\n0.887751 0.070697 0.421316 Pb\n0.905381 0.253453 0.038157 N\n0.405381 0.246547 0.961843 N\n0.094619 0.753453 0.461843 N\n0.594619 0.746547 0.538157 N\n0.094619 0.746547 0.961843 N\n0.594619 0.753453 0.038157 N\n0.905381 0.246547 0.538157 N\n0.405381 0.253453 0.461843 N\n0.916465 0.033477 0.904365 N\n0.416465 0.466523 0.095635 N\n0.083535 0.533477 0.595635 N\n0.583535 0.966523 0.404365 N\n0.083535 0.966523 0.095635 N\n0.583535 0.533477 0.904365 N\n0.916465 0.466523 0.404365 N\n0.416465 0.033477 0.595635 N\n0.733374 0.241529 0.887982 N\n0.233374 0.258471 0.112018 N\n0.266626 0.741529 0.612018 N\n0.766626 0.758471 0.387982 N\n0.266626 0.758471 0.112018 N\n0.766626 0.741529 0.887982 N\n0.733374 0.258471 0.387982 N\n0.233374 0.241529 0.612018 N\n0.272200 0.953965 0.957338 N\n0.772200 0.546035 0.042662 N\n0.727800 0.453965 0.542662 N\n0.227800 0.046035 0.457338 N\n0.727800 0.046035 0.042662 N\n0.227800 0.453965 0.957338 N\n0.272200 0.546035 0.457338 N\n0.772200 0.953965 0.542662 N\n0.015210 0.148611 0.720728 N\n0.515210 0.351389 0.279272 N\n0.984790 0.648611 0.779272 N\n0.484790 0.851389 0.220728 N\n0.984790 0.851389 0.279272 N\n0.484790 0.648611 0.720728 N\n0.015210 0.351389 0.220728 N\n0.515210 0.148611 0.779272 N\n0.369595 0.895533 0.768600 N\n0.869595 0.604467 0.231400 N\n0.630405 0.395533 0.731400 N\n0.130405 0.104467 0.268600 N\n0.630405 0.104467 0.231400 N\n0.130405 0.395533 0.768600 N\n0.369595 0.604467 0.268600 N\n0.869595 0.895533 0.731400 N\n0.260615 0.149237 0.803428 N\n0.760615 0.350763 0.196572 N\n0.739385 0.649237 0.696572 N\n0.239385 0.850763 0.303428 N\n0.739385 0.850763 0.196572 N\n0.239385 0.649237 0.803428 N\n0.260615 0.350763 0.303428 N\n0.760615 0.149237 0.696572 N\n0.112668 0.907175 0.798470 N\n0.612668 0.592825 0.201530 N\n0.887332 0.407175 0.701530 N\n0.387332 0.092825 0.298470 N\n0.887332 0.092825 0.201530 N\n0.387332 0.407175 0.798470 N\n0.112668 0.592825 0.298470 N\n0.612668 0.907175 0.701530 N\n",
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"formula_full": "Si40 Pb16 N64",
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{
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},
{
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{
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"structure_string": "H96 C32 Se24 Br48 N8\n1.0\n12.987298 0.000000 -2.669208\n0.000000 17.446331 0.000000\n0.003467 0.000000 17.547837\nH C Se Br N\n96 32 24 48 8\ndirect\n0.417865 0.206230 0.551418 H\n0.582135 0.706230 0.948582 H\n0.582135 0.793770 0.448582 H\n0.417865 0.293770 0.051418 H\n0.524617 0.168624 0.514104 H\n0.475383 0.668624 0.985896 H\n0.475383 0.831376 0.485896 H\n0.524617 0.331376 0.014104 H\n0.493261 0.128864 0.600806 H\n0.506739 0.628864 0.899194 H\n0.506739 0.871136 0.399194 H\n0.493261 0.371136 0.100806 H\n0.487909 0.334884 0.554447 H\n0.512091 0.834884 0.945553 H\n0.512091 0.665116 0.445553 H\n0.487909 0.165116 0.054447 H\n0.616543 0.353372 0.606351 H\n0.383457 0.853372 0.893649 H\n0.383457 0.646628 0.393649 H\n0.616543 0.146628 0.106351 H\n0.595617 0.299661 0.517275 H\n0.404383 0.799661 0.982725 H\n0.404383 0.700339 0.482725 H\n0.595617 0.200339 0.017275 H\n0.446323 0.275036 0.672979 H\n0.553677 0.775036 0.827021 H\n0.553677 0.724964 0.327021 H\n0.446323 0.224964 0.172979 H\n0.530241 0.202195 0.723050 H\n0.469759 0.702195 0.776950 H\n0.469759 0.797805 0.276950 H\n0.530241 0.297805 0.223050 H\n0.574281 0.299357 0.721973 H\n0.425719 0.799357 0.778027 H\n0.425719 0.700643 0.278027 H\n0.574281 0.200643 0.221973 H\n0.721188 0.247538 0.673393 H\n0.278812 0.747538 0.826607 H\n0.278812 0.752462 0.326607 H\n0.721188 0.252462 0.173393 H\n0.669488 0.152013 0.667181 H\n0.330512 0.652013 0.832819 H\n0.330512 0.847987 0.332819 H\n0.669488 0.347987 0.167181 H\n0.700553 0.196369 0.582579 H\n0.299447 0.696369 0.917421 H\n0.299447 0.803631 0.417421 H\n0.700553 0.303631 0.082579 H\n0.181116 0.267582 0.417928 H\n0.818884 0.767582 0.082072 H\n0.818884 0.732418 0.582072 H\n0.181116 0.232418 0.917928 H\n0.123250 0.228032 0.493383 H\n0.876750 0.728032 0.006617 H\n0.876750 0.771968 0.506617 H\n0.123250 0.271968 0.993383 H\n0.219401 0.174627 0.457067 H\n0.780599 0.674627 0.042933 H\n0.780599 0.825373 0.542933 H\n0.219401 0.325373 0.957067 H\n0.148326 0.214346 0.291584 H\n0.851674 0.714346 0.208416 H\n0.851674 0.785654 0.708416 H\n0.148326 0.285654 0.791584 H\n0.173762 0.117090 0.322904 H\n0.826238 0.617090 0.177096 H\n0.826238 0.882910 0.677096 H\n0.173762 0.382910 0.822904 H\n0.051540 0.141923 0.263644 H\n0.948460 0.641923 0.236356 H\n0.948460 0.858077 0.736356 H\n0.051540 0.358077 0.763644 H\n0.008820 0.285399 0.337116 H\n0.991180 0.785399 0.162884 H\n0.991180 0.714601 0.662884 H\n0.008820 0.214601 0.837116 H\n0.923475 0.204587 0.317207 H\n0.076525 0.704587 0.182793 H\n0.076525 0.795413 0.682793 H\n0.923475 0.295413 0.817207 H\n0.952757 0.244918 0.413155 H\n0.047243 0.744918 0.086845 H\n0.047243 0.755082 0.586845 H\n0.952757 0.255082 0.913155 H\n0.972502 0.081822 0.372010 H\n0.027498 0.581822 0.127990 H\n0.027498 0.918178 0.627990 H\n0.972502 0.418178 0.872010 H\n0.102220 0.064226 0.422507 H\n0.897780 0.564226 0.077493 H\n0.897780 0.935774 0.577493 H\n0.102220 0.435774 0.922507 H\n0.015799 0.117852 0.469162 H\n0.984201 0.617852 0.030838 H\n0.984201 0.882148 0.530838 H\n0.015799 0.382148 0.969162 H\n0.494961 0.181430 0.566776 C\n0.505039 0.681430 0.933224 C\n0.505039 0.818570 0.433224 C\n0.494961 0.318570 0.066776 C\n0.566543 0.311958 0.570145 C\n0.433457 0.811958 0.929855 C\n0.433457 0.688042 0.429855 C\n0.566543 0.188042 0.070145 C\n0.526145 0.255053 0.688662 C\n0.473855 0.755053 0.811338 C\n0.473855 0.744947 0.311338 C\n0.526145 0.244947 0.188662 C\n0.671886 0.206136 0.636176 C\n0.328114 0.706136 0.863824 C\n0.328114 0.793864 0.363824 C\n0.671886 0.293864 0.136176 C\n0.155089 0.214994 0.441871 C\n0.844911 0.714994 0.058129 C\n0.844911 0.785006 0.558129 C\n0.155089 0.285006 0.941871 C\n0.114880 0.161615 0.309701 C\n0.885120 0.661615 0.190299 C\n0.885120 0.838385 0.690299 C\n0.114880 0.338385 0.809701 C\n0.982886 0.232307 0.360702 C\n0.017114 0.732307 0.139298 C\n0.017114 0.767693 0.639298 C\n0.982886 0.267693 0.860702 C\n0.038294 0.105124 0.413728 C\n0.961706 0.605124 0.086272 C\n0.961706 0.894876 0.586272 C\n0.038294 0.394876 0.913728 C\n0.967594 0.063539 0.086053 Se\n0.032406 0.563539 0.413947 Se\n0.032406 0.936461 0.913947 Se\n0.967594 0.436461 0.586053 Se\n0.117097 0.067684 0.040253 Se\n0.882903 0.567684 0.459747 Se\n0.882903 0.932316 0.959747 Se\n0.117097 0.432316 0.540253 Se\n0.684288 0.921726 0.179110 Se\n0.315712 0.421726 0.320890 Se\n0.315712 0.078274 0.820890 Se\n0.684288 0.578274 0.679110 Se\n0.719272 0.041547 0.370664 Se\n0.280728 0.541547 0.129336 Se\n0.280728 0.958453 0.629336 Se\n0.719272 0.458453 0.870664 Se\n0.955979 0.912124 0.294872 Se\n0.044021 0.412124 0.205128 Se\n0.044021 0.087876 0.705128 Se\n0.955979 0.587876 0.794872 Se\n0.527744 0.995087 0.253078 Se\n0.472256 0.495087 0.246922 Se\n0.472256 0.004913 0.746922 Se\n0.527744 0.504913 0.753078 Se\n0.853053 0.156424 0.009565 Br\n0.146947 0.656424 0.490435 Br\n0.146947 0.843576 0.990435 Br\n0.853053 0.343576 0.509565 Br\n0.217428 0.163883 0.121282 Br\n0.782572 0.663883 0.378718 Br\n0.782572 0.836117 0.878718 Br\n0.217428 0.336117 0.621282 Br\n0.647738 0.964104 0.045461 Br\n0.352262 0.464104 0.454539 Br\n0.352262 0.035896 0.954539 Br\n0.647738 0.535896 0.545461 Br\n0.613684 0.792658 0.153479 Br\n0.386316 0.292658 0.346521 Br\n0.386316 0.207342 0.846521 Br\n0.613684 0.707342 0.653479 Br\n0.796640 0.057316 0.228694 Br\n0.203360 0.557316 0.271306 Br\n0.203360 0.942684 0.771306 Br\n0.796640 0.442684 0.728694 Br\n0.767181 0.888309 0.343651 Br\n0.232819 0.388309 0.156349 Br\n0.232819 0.111691 0.656349 Br\n0.767181 0.611691 0.843651 Br\n0.672157 0.006510 0.493390 Br\n0.327843 0.506510 0.006610 Br\n0.327843 0.993490 0.506610 Br\n0.672157 0.493490 0.993390 Br\n0.696580 0.181100 0.387194 Br\n0.303420 0.681100 0.112806 Br\n0.303420 0.818900 0.612806 Br\n0.696580 0.318900 0.887194 Br\n0.040746 0.810096 0.373057 Br\n0.959254 0.310096 0.126943 Br\n0.959254 0.189904 0.626943 Br\n0.040746 0.689904 0.873057 Br\n0.099581 0.945993 0.231491 Br\n0.900419 0.445993 0.268509 Br\n0.900419 0.054007 0.768509 Br\n0.099581 0.554007 0.731491 Br\n0.417238 0.064528 0.328838 Br\n0.582762 0.564528 0.171162 Br\n0.582762 0.935472 0.671162 Br\n0.417238 0.435472 0.828838 Br\n0.385055 0.945458 0.154545 Br\n0.614945 0.445458 0.345455 Br\n0.614945 0.054542 0.845455 Br\n0.385055 0.554542 0.654545 Br\n0.564791 0.238718 0.615280 N\n0.435209 0.738718 0.884720 N\n0.435209 0.761282 0.384720 N\n0.564791 0.261282 0.115280 N\n0.072748 0.178441 0.381464 N\n0.927252 0.678441 0.118536 N\n0.927252 0.821559 0.618536 N\n0.072748 0.321559 0.881464 N\n",
"nsites": 208,
"nelements": 5,
"elements": [
"H",
"C",
"Se",
"Br",
"N"
],
"chemical_system": "Br-C-H-N-Se",
"density": 2.640880063107955,
"density_atomic": 0.05231174350994057,
"volume": 3976.162636607107,
"volume_molar": 11.512024558798426,
"formula_full": "H96 C32 Se24 Br48 N8",
"formula_reduced": "H12C4Se3Br6N",
"formula_anonymous": "AB3C4D6E12",
"energy": -918.05178441,
"energy_per_atom": -4.4137105019711536,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -889.53178441,
"band_gap": 1.1772,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.531000Z",
"spacegroup": 14
},
{
"id": "mp-1205203",
"created_at": "2022-09-04T14:44:26.146210Z",
"structure_string": "Si12 P4 H108 C36 N8 Cl8\n1.0\n-8.575208 0.000000 4.921852\n0.000000 -14.535335 0.000000\n8.612331 0.000000 13.248729\nSi P H C N Cl\n12 4 108 36 8 8\ndirect\n0.109830 0.345662 0.311672 Si\n0.390170 0.845662 0.188328 Si\n0.890170 0.654338 0.688328 Si\n0.609830 0.154338 0.811672 Si\n0.896308 0.110062 0.287801 Si\n0.603692 0.610062 0.212199 Si\n0.103692 0.889938 0.712199 Si\n0.396308 0.389938 0.787801 Si\n0.832466 0.236160 0.446606 Si\n0.667534 0.736160 0.053394 Si\n0.167534 0.763840 0.553394 Si\n0.332466 0.263840 0.946606 Si\n0.173202 0.170935 0.429624 P\n0.326798 0.670935 0.070376 P\n0.826798 0.829065 0.570376 P\n0.673202 0.329065 0.929624 P\n0.362877 0.338557 0.313407 H\n0.137123 0.838557 0.186593 H\n0.637123 0.661443 0.686593 H\n0.862877 0.161443 0.813407 H\n0.288088 0.277201 0.225225 H\n0.211912 0.777201 0.274775 H\n0.711912 0.722799 0.774775 H\n0.788088 0.222799 0.725225 H\n0.289919 0.399792 0.224589 H\n0.210081 0.899792 0.275411 H\n0.710081 0.600208 0.775411 H\n0.789919 0.100208 0.724589 H\n0.013203 0.454106 0.415759 H\n0.486797 0.954106 0.084241 H\n0.986797 0.545894 0.584241 H\n0.513203 0.045894 0.915759 H\n0.191249 0.440185 0.436590 H\n0.308751 0.940185 0.063410 H\n0.808751 0.559815 0.563410 H\n0.691249 0.059815 0.936590 H\n0.128558 0.509328 0.350123 H\n0.371442 0.009328 0.149877 H\n0.871442 0.490672 0.649877 H\n0.628558 0.990672 0.850123 H\n0.973319 0.310557 0.177735 H\n0.526681 0.810557 0.322265 H\n0.026681 0.689443 0.822265 H\n0.473319 0.189443 0.677735 H\n0.872647 0.366015 0.252198 H\n0.627353 0.866015 0.247802 H\n0.127353 0.633985 0.747802 H\n0.372647 0.133985 0.752198 H\n0.991459 0.430322 0.195564 H\n0.508541 0.930322 0.304436 H\n0.008541 0.569678 0.804436 H\n0.491459 0.069678 0.695564 H\n0.778465 0.396646 0.396622 H\n0.721535 0.896646 0.103378 H\n0.221535 0.603354 0.603378 H\n0.278465 0.103354 0.896622 H\n0.658177 0.316197 0.352067 H\n0.841823 0.816197 0.147933 H\n0.341823 0.683803 0.647933 H\n0.158177 0.183803 0.852067 H\n0.650636 0.351204 0.459352 H\n0.849364 0.851204 0.040648 H\n0.349364 0.648796 0.540648 H\n0.150636 0.148796 0.959352 H\n0.994227 0.217566 0.573554 H\n0.505773 0.717566 0.926446 H\n0.005773 0.782434 0.426446 H\n0.494227 0.282434 0.073554 H\n0.010183 0.329264 0.529092 H\n0.489817 0.829264 0.970908 H\n0.989817 0.670736 0.470908 H\n0.510183 0.170736 0.029092 H\n0.869322 0.302499 0.589043 H\n0.630678 0.802499 0.910957 H\n0.130678 0.697501 0.410957 H\n0.369322 0.197501 0.089043 H\n0.657265 0.110142 0.426955 H\n0.842735 0.610142 0.073045 H\n0.342735 0.889858 0.573045 H\n0.157265 0.389858 0.926955 H\n0.778795 0.084360 0.511278 H\n0.721205 0.584360 0.988722 H\n0.221205 0.915640 0.488722 H\n0.278795 0.415640 0.011278 H\n0.650265 0.167709 0.524707 H\n0.849735 0.667709 0.975293 H\n0.349735 0.832291 0.475293 H\n0.150265 0.332291 0.024707 H\n0.011433 0.175205 0.163796 H\n0.488567 0.675205 0.336204 H\n0.988567 0.824795 0.836204 H\n0.511433 0.324795 0.663796 H\n0.120915 0.097586 0.222307 H\n0.379085 0.597586 0.277693 H\n0.879085 0.902414 0.777693 H\n0.620915 0.402414 0.722307 H\n0.983780 0.055108 0.155767 H\n0.516220 0.555108 0.344233 H\n0.016220 0.944892 0.844233 H\n0.483781 0.444892 0.655767 H\n0.642076 0.127862 0.286755 H\n0.857924 0.627862 0.213245 H\n0.357924 0.872138 0.713245 H\n0.142076 0.372138 0.786755 H\n0.713547 0.197605 0.207966 H\n0.786453 0.697605 0.292034 H\n0.286453 0.802395 0.792034 H\n0.213547 0.302395 0.707966 H\n0.696177 0.077274 0.192447 H\n0.803823 0.577274 0.307553 H\n0.303823 0.922726 0.807553 H\n0.196177 0.422726 0.692447 H\n0.003707 0.979426 0.369750 H\n0.496293 0.479426 0.130250 H\n0.996293 0.020574 0.630250 H\n0.503707 0.520574 0.869750 H\n0.825746 0.980972 0.381562 H\n0.674254 0.480972 0.118438 H\n0.174254 0.019028 0.618438 H\n0.325746 0.519028 0.881562 H\n0.891109 0.939626 0.286214 H\n0.608891 0.439626 0.213786 H\n0.108891 0.060374 0.713786 H\n0.391109 0.560374 0.786214 H\n0.279210 0.338461 0.264735 C\n0.220790 0.838461 0.235265 C\n0.720790 0.661539 0.735265 C\n0.779210 0.161539 0.764735 C\n0.110450 0.446116 0.386457 C\n0.389550 0.946116 0.113543 C\n0.889550 0.553884 0.613543 C\n0.610450 0.053884 0.886457 C\n0.973408 0.363861 0.226643 C\n0.526592 0.863861 0.273357 C\n0.026592 0.636139 0.773357 C\n0.473408 0.136139 0.726643 C\n0.720237 0.334449 0.409461 C\n0.779763 0.834449 0.090539 C\n0.279763 0.665551 0.590539 C\n0.220237 0.165551 0.909461 C\n0.938067 0.274779 0.542664 C\n0.561933 0.774779 0.957336 C\n0.061933 0.725221 0.457336 C\n0.438067 0.225221 0.042664 C\n0.720363 0.139673 0.479301 C\n0.779637 0.639673 0.020699 C\n0.279637 0.860327 0.520699 C\n0.220363 0.360327 0.979301 C\n0.015839 0.110905 0.199750 C\n0.484161 0.610905 0.300250 C\n0.984161 0.889095 0.800250 C\n0.515839 0.389095 0.699750 C\n0.720381 0.130828 0.240366 C\n0.779619 0.630828 0.259634 C\n0.279619 0.869172 0.759634 C\n0.220381 0.369172 0.740366 C\n0.904733 0.991837 0.336619 C\n0.595267 0.491837 0.163381 C\n0.095267 0.008163 0.663381 C\n0.404733 0.508163 0.836619 C\n0.074738 0.238522 0.365949 N\n0.425262 0.738522 0.134051 N\n0.925262 0.761478 0.634051 N\n0.574738 0.261478 0.865949 N\n0.938235 0.198381 0.364553 N\n0.561765 0.698381 0.135447 N\n0.061765 0.801619 0.635447 N\n0.438235 0.301619 0.864553 N\n0.315474 0.264367 0.486631 Cl\n0.184526 0.764367 0.013369 Cl\n0.684526 0.735633 0.513369 Cl\n0.815474 0.235633 0.986631 Cl\n0.318118 0.105852 0.350845 Cl\n0.181882 0.605852 0.149155 Cl\n0.681882 0.894148 0.649155 Cl\n0.818118 0.394148 0.850845 Cl\n",
"nsites": 176,
"nelements": 6,
"elements": [
"Si",
"P",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-P-Si",
"density": 1.0236688753458445,
"density_atomic": 0.07761848830564406,
"volume": 2267.501001912737,
"volume_molar": 7.75864216304519,
"formula_full": "Si12 P4 H108 C36 N8 Cl8",
"formula_reduced": "Si3PH27C9(NCl)2",
"formula_anonymous": "AB2C2D3E9F27",
"energy": -917.63844476,
"energy_per_atom": -5.213854799772727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -909.83844476,
"band_gap": 3.7559,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0089818,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.872000Z",
"spacegroup": 14
},
{
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}