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{
"id": "mp-1203739",
"created_at": "2022-09-04T14:47:44.195127Z",
"structure_string": "K6 Na2 Al24 Si24 H16 O96\n1.0\n0.000010 9.039126 0.000017\n10.360545 -0.000007 -1.012852\n0.013536 -0.000008 -20.015496\nK Na Al Si H O\n6 2 24 24 16 96\ndirect\n0.095210 0.002079 0.750359 K\n0.904795 0.997930 0.249636 K\n0.604701 0.249999 0.749999 K\n0.095217 0.497930 0.749633 K\n0.904787 0.502071 0.250361 K\n0.395312 0.750001 0.250001 K\n0.432912 0.250010 0.250000 Na\n0.567087 0.750011 0.750009 Na\n0.584269 0.373718 0.000587 Al\n0.584260 0.126278 0.499407 Al\n0.416040 0.126902 0.999272 Al\n0.416038 0.373096 0.500718 Al\n0.261259 0.234057 0.862589 Al\n0.085999 0.124346 0.999219 Al\n0.261253 0.265941 0.637401 Al\n0.085991 0.375651 0.500778 Al\n0.739153 0.267707 0.137929 Al\n0.914062 0.376162 0.001422 Al\n0.739147 0.232286 0.362068 Al\n0.914054 0.123837 0.498578 Al\n0.583972 0.873094 0.000717 Al\n0.583965 0.626904 0.499272 Al\n0.415754 0.626273 0.999405 Al\n0.415739 0.873720 0.500586 Al\n0.260855 0.732284 0.862067 Al\n0.085956 0.623832 0.998577 Al\n0.260854 0.767708 0.637927 Al\n0.085942 0.876162 0.501421 Al\n0.738756 0.765940 0.137400 Al\n0.914014 0.875646 0.000776 Al\n0.738744 0.734059 0.362589 Al\n0.914003 0.624350 0.499220 Al\n0.755937 0.476352 0.863886 Si\n0.431169 0.493002 0.861636 Si\n0.755927 0.023645 0.636111 Si\n0.431161 0.006994 0.638357 Si\n0.244377 0.025667 0.136391 Si\n0.570128 0.008895 0.138031 Si\n0.244368 0.474331 0.363604 Si\n0.570122 0.491099 0.361957 Si\n0.929321 0.230524 0.863466 Si\n0.929313 0.269473 0.636530 Si\n0.070550 0.269675 0.137648 Si\n0.070537 0.230321 0.362350 Si\n0.755635 0.974330 0.863602 Si\n0.429881 0.991098 0.861957 Si\n0.755629 0.525668 0.636391 Si\n0.429877 0.508897 0.638031 Si\n0.244079 0.523644 0.136110 Si\n0.568845 0.506992 0.138357 Si\n0.244067 0.976355 0.363886 Si\n0.568833 0.993004 0.361636 Si\n0.929465 0.730320 0.862348 Si\n0.929456 0.769677 0.637648 Si\n0.070694 0.769471 0.136529 Si\n0.070683 0.730526 0.363466 Si\n0.146530 0.436600 0.933465 H\n0.146513 0.063381 0.566545 H\n0.854470 0.061310 0.068025 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O\n0.407246 0.450255 0.330217 O\n0.943014 0.478927 0.448678 O\n0.249599 0.448447 0.445045 O\n0.551906 0.482943 0.444731 O\n0.866285 0.373500 0.831136 O\n0.806903 0.124048 0.840534 O\n0.085301 0.207287 0.827996 O\n0.565905 0.227904 0.949620 O\n0.250196 0.191842 0.949876 O\n0.939976 0.230404 0.945584 O\n0.866274 0.126500 0.668861 O\n0.806899 0.375951 0.659463 O\n0.085299 0.292706 0.671997 O\n0.565896 0.272092 0.550376 O\n0.250191 0.308156 0.550116 O\n0.939965 0.269594 0.554412 O\n0.131035 0.125648 0.169216 O\n0.195429 0.373968 0.160543 O\n0.914568 0.296144 0.172579 O\n0.435432 0.272279 0.050188 O\n0.749505 0.310303 0.050736 O\n0.058948 0.269779 0.055410 O\n0.131021 0.374350 0.330783 O\n0.195420 0.126031 0.339457 O\n0.914559 0.203849 0.327417 O\n0.435428 0.227716 0.449804 O\n0.749498 0.189697 0.449262 O\n0.058936 0.230217 0.444588 O\n0.397074 0.638273 0.826896 O\n0.300508 0.895315 0.841068 O\n0.592757 0.950253 0.830215 O\n0.056991 0.978919 0.948678 O\n0.750403 0.948444 0.945043 O\n0.448102 0.982942 0.944730 O\n0.397066 0.861726 0.673101 O\n0.300501 0.604676 0.658922 O\n0.592749 0.549741 0.669774 O\n0.056980 0.521074 0.551320 O\n0.750400 0.551554 0.554950 O\n0.448098 0.517057 0.555257 O\n0.607550 0.864540 0.171720 O\n0.698456 0.602693 0.158980 O\n0.406475 0.547565 0.169162 O\n0.942938 0.522298 0.051301 O\n0.248744 0.549875 0.054663 O\n0.551513 0.516096 0.055517 O\n0.607542 0.635455 0.328269 O\n0.698441 0.897304 0.341009 O\n0.406461 0.952428 0.330834 O\n0.942926 0.977701 0.448698 O\n0.248732 0.950117 0.445333 O\n0.551499 0.983901 0.444475 O\n0.868984 0.874350 0.830782 O\n0.804580 0.626030 0.839456 O\n0.085444 0.703848 0.827416 O\n0.564589 0.727711 0.949803 O\n0.250512 0.689689 0.949261 O\n0.941071 0.730211 0.944586 O\n0.868972 0.625649 0.669214 O\n0.804578 0.873970 0.660543 O\n0.085441 0.796145 0.672576 O\n0.564571 0.772281 0.550188 O\n0.250501 0.810301 0.550733 O\n0.941055 0.769782 0.555409 O\n0.133735 0.626499 0.168861 O\n0.193107 0.875950 0.159459 O\n0.914710 0.792706 0.171997 O\n0.434122 0.772084 0.050372 O\n0.749817 0.808155 0.050115 O\n0.060043 0.769592 0.054411 O\n0.133718 0.873502 0.331136 O\n0.193102 0.624050 0.340536 O\n0.914702 0.707293 0.327995 O\n0.434106 0.727907 0.449618 O\n0.749807 0.691844 0.449876 O\n0.060025 0.730406 0.445584 O\n",
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"elements": [
"K",
"Na",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-K-Na-O-Si",
"density": 2.7944620001392497,
"density_atomic": 0.08963189881274422,
"volume": 1874.332712185197,
"volume_molar": 6.718747276102277,
"formula_full": "K6 Na2 Al24 Si24 H16 O96",
"formula_reduced": "K3NaAl12Si12(HO6)8",
"formula_anonymous": "AB3C8D12E12F48",
"energy": -1262.46011762,
"energy_per_atom": -7.514643557261904,
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"energy_uncorrected": -1196.50811762,
"band_gap": 4.8271,
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"total_magnetization": 0.000483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.452000Z",
"spacegroup": 13
},
{
"id": "mp-1204558",
"created_at": "2022-09-04T14:43:20.443489Z",
"structure_string": "Bi4 Ru20 C72 O72\n1.0\n11.664139 -0.002798 0.068432\n2.811609 15.885379 4.796122\n0.013332 0.011850 18.005778\nBi Ru C O\n4 20 72 72\ndirect\n0.612931 0.787266 0.243197 Bi\n0.387069 0.212734 0.756803 Bi\n0.997111 0.765600 0.752517 Bi\n0.002889 0.234400 0.247483 Bi\n0.756871 0.886612 0.143626 Ru\n0.243129 0.113388 0.856374 Ru\n0.832829 0.699292 0.219279 Ru\n0.167171 0.300708 0.780721 Ru\n0.501420 0.819444 0.371147 Ru\n0.498580 0.180556 0.628853 Ru\n0.375616 0.797906 0.228344 Ru\n0.624384 0.202094 0.771656 Ru\n0.396164 0.668623 0.378667 Ru\n0.603836 0.331377 0.621333 Ru\n0.807702 0.873305 0.656844 Ru\n0.192298 0.126695 0.343156 Ru\n0.819882 0.683421 0.717910 Ru\n0.180118 0.316579 0.282090 Ru\n0.092537 0.787981 0.884137 Ru\n0.907463 0.212019 0.115863 Ru\n0.228619 0.781436 0.736339 Ru\n0.771381 0.218564 0.263661 Ru\n0.280329 0.645904 0.884817 Ru\n0.719671 0.354096 0.115183 Ru\n0.652563 0.991403 0.122641 C\n0.347437 0.008597 0.877359 C\n0.896351 0.904314 0.086679 C\n0.103649 0.095686 0.913321 C\n0.684725 0.859138 0.058697 C\n0.315275 0.140862 0.941303 C\n0.819715 0.909390 0.233960 C\n0.180285 0.090610 0.766040 C\n0.849817 0.584142 0.279151 C\n0.150183 0.415858 0.720849 C\n0.978497 0.706002 0.168082 C\n0.021503 0.293998 0.831918 C\n0.889532 0.725305 0.309818 C\n0.110468 0.274695 0.690182 C\n0.755845 0.670496 0.136781 C\n0.244155 0.329504 0.863219 C\n0.397890 0.843650 0.447957 C\n0.602110 0.156350 0.552043 C\n0.554871 0.924306 0.345621 C\n0.445129 0.075694 0.654379 C\n0.623918 0.753334 0.438357 C\n0.376082 0.246666 0.561643 C\n0.212491 0.814759 0.244351 C\n0.787509 0.185241 0.755649 C\n0.368577 0.894444 0.140804 C\n0.631423 0.105556 0.859196 C\n0.378638 0.718555 0.173697 C\n0.621362 0.281445 0.826303 C\n0.259639 0.731275 0.411965 C\n0.740361 0.268725 0.588035 C\n0.524379 0.611053 0.333767 C\n0.475621 0.388947 0.666233 C\n0.304060 0.592960 0.357560 C\n0.695940 0.407040 0.642440 C\n0.454758 0.614530 0.483422 C\n0.545242 0.385470 0.516578 C\n0.858989 0.977567 0.646252 C\n0.141011 0.022433 0.353748 C\n0.663437 0.897534 0.595647 C\n0.336563 0.102466 0.404353 C\n0.728951 0.884167 0.750227 C\n0.271049 0.115833 0.249773 C\n0.897576 0.859753 0.568113 C\n0.102424 0.140247 0.431887 C\n0.863166 0.564932 0.764881 C\n0.136834 0.435068 0.235119 C\n0.669455 0.692385 0.669211 C\n0.330545 0.307615 0.330789 C\n0.905463 0.672317 0.626723 C\n0.094537 0.327683 0.373277 C\n0.753102 0.694676 0.814923 C\n0.246898 0.305324 0.185077 C\n0.185656 0.813349 0.958766 C\n0.814344 0.186651 0.041234 C\n0.986641 0.891221 0.864728 C\n0.013359 0.108779 0.135272 C\n0.005743 0.716371 0.950595 C\n0.994257 0.283629 0.049405 C\n0.384274 0.796720 0.751557 C\n0.615726 0.203280 0.248443 C\n0.186522 0.880935 0.651900 C\n0.813478 0.119065 0.348100 C\n0.258290 0.707916 0.675377 C\n0.741710 0.292084 0.324623 C\n0.384713 0.709263 0.918418 C\n0.615287 0.290737 0.081582 C\n0.165928 0.589861 0.853254 C\n0.834072 0.410139 0.146746 C\n0.275010 0.575706 0.988954 C\n0.724990 0.424294 0.011046 C\n0.405718 0.583391 0.844088 C\n0.594282 0.416609 0.155912 C\n0.590495 0.055474 0.110792 O\n0.409505 0.944526 0.889208 O\n0.979186 0.915443 0.052329 O\n0.020814 0.084557 0.947671 O\n0.641664 0.845836 0.006987 O\n0.358336 0.154164 0.993013 O\n0.854573 0.927552 0.285670 O\n0.145427 0.072448 0.714330 O\n0.865230 0.513786 0.314445 O\n0.134770 0.486214 0.685555 O\n0.067377 0.708183 0.139439 O\n0.932623 0.291817 0.860561 O\n0.923828 0.735244 0.365961 O\n0.076172 0.264756 0.634039 O\n0.710915 0.648043 0.091418 O\n0.289085 0.351957 0.908582 O\n0.344406 0.860986 0.497591 O\n0.655594 0.139014 0.502409 O\n0.586122 0.988981 0.331383 O\n0.413878 0.011019 0.668617 O\n0.699961 0.714207 0.482337 O\n0.300039 0.285793 0.517663 O\n0.111265 0.825933 0.245374 O\n0.888735 0.174067 0.754626 O\n0.360388 0.953099 0.086689 O\n0.639612 0.046901 0.913311 O\n0.379189 0.669224 0.139658 O\n0.620811 0.330776 0.860342 O\n0.175061 0.759967 0.435608 O\n0.824939 0.240033 0.564392 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O\n0.722465 0.336940 0.363557 O\n0.453463 0.738717 0.942531 O\n0.546537 0.261283 0.057469 O\n0.106178 0.545730 0.841435 O\n0.893822 0.454270 0.158565 O\n0.271846 0.529938 0.050553 O\n0.728154 0.470062 0.949447 O\n0.481676 0.545066 0.820179 O\n0.518324 0.454934 0.179821 O\n",
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"elements": [
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"Ru",
"C",
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],
"chemical_system": "Bi-C-O-Ru",
"density": 2.426309989264328,
"density_atomic": 0.05036358044567134,
"volume": 3335.74377582679,
"volume_molar": 11.957332474596914,
"formula_full": "Bi4 Ru20 C72 O72",
"formula_reduced": "BiRu5(CO)18",
"formula_anonymous": "AB5C18D18",
"energy": -1373.4697982700002,
"energy_per_atom": -8.175415465892858,
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"band_gap": 0.4697,
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"updated_at": "2021-11-28T01:36:12.650000Z",
"spacegroup": 2
},
{
"id": "mp-1198832",
"created_at": "2022-09-04T14:43:09.487681Z",
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"elements": [
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"formula_full": "Ba4 Mn36 V24 O104",
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"updated_at": "2021-11-28T01:35:35.795000Z",
"spacegroup": 205
},
{
"id": "mp-680446",
"created_at": "2022-09-04T14:45:27.024221Z",
"structure_string": "Cu36 P48 Se48 Br36\n1.0\n6.507259 0.000000 0.000000\n0.000000 19.288221 0.000000\n0.000000 0.075720 34.061192\nCu P Se Br\n36 48 48 36\ndirect\n0.739011 0.124101 0.070205 Cu\n0.965068 0.123219 0.735392 Cu\n0.272827 0.675924 0.646196 Cu\n0.239011 0.875899 0.929795 Cu\n0.234877 0.696125 0.858403 Cu\n0.748981 0.828279 0.532202 Cu\n0.752334 0.801786 0.985753 Cu\n0.770169 0.625706 0.581957 Cu\n0.249753 0.697128 0.525311 Cu\n0.465068 0.876781 0.264608 Cu\n0.270169 0.374294 0.418043 Cu\n0.731135 0.824727 0.864363 Cu\n0.470244 0.677449 0.312594 Cu\n0.951661 0.304645 0.809127 Cu\n0.777171 0.798989 0.652345 Cu\n0.749753 0.302872 0.474689 Cu\n0.469529 0.200905 0.680436 Cu\n0.467329 0.372628 0.751219 Cu\n0.746114 0.625498 0.916533 Cu\n0.231135 0.175273 0.135637 Cu\n0.772827 0.324076 0.353804 Cu\n0.248981 0.171721 0.467798 Cu\n0.451661 0.695355 0.190873 Cu\n0.248940 0.678781 0.979706 Cu\n0.748940 0.321219 0.020294 Cu\n0.734877 0.303875 0.141597 Cu\n0.967329 0.627372 0.248781 Cu\n0.277171 0.201011 0.347655 Cu\n0.952221 0.830718 0.198119 Cu\n0.969529 0.799095 0.319564 Cu\n0.452221 0.169282 0.801881 Cu\n0.252334 0.198214 0.014247 Cu\n0.246114 0.374502 0.083467 Cu\n0.970244 0.322551 0.687406 Cu\n0.263623 0.876092 0.597928 Cu\n0.763623 0.123908 0.402072 Cu\n0.362686 0.985155 0.593813 P\n0.106852 0.559249 0.064218 P\n0.839742 0.015199 0.072677 P\n0.370360 0.483307 0.419707 P\n0.805384 0.878013 0.475032 P\n0.350014 0.483147 0.083506 P\n0.405206 0.621277 0.367692 P\n0.868763 0.876671 0.141430 P\n0.913285 0.860323 0.373133 P\n0.144732 0.544723 0.725953 P\n0.898693 0.011440 0.739395 P\n0.368392 0.642063 0.136423 P\n0.367519 0.622387 0.700480 P\n0.640234 0.939490 0.719928 P\n0.305862 0.642274 0.469904 P\n0.105403 0.068713 0.939016 P\n0.348597 0.622473 0.032784 P\n0.410597 0.485072 0.752817 P\n0.606852 0.440751 0.935782 P\n0.299990 0.641969 0.803103 P\n0.142108 0.554059 0.390005 P\n0.368763 0.123329 0.858570 P\n0.850014 0.516853 0.916494 P\n0.795418 0.874462 0.807484 P\n0.867519 0.377613 0.299520 P\n0.295418 0.125538 0.192516 P\n0.642108 0.445941 0.609995 P\n0.413285 0.139677 0.626867 P\n0.339742 0.984801 0.927323 P\n0.873509 0.857311 0.704985 P\n0.910597 0.514928 0.247183 P\n0.355351 0.137810 0.962860 P\n0.644732 0.455277 0.274047 P\n0.799990 0.358031 0.196897 P\n0.605403 0.931287 0.060984 P\n0.868392 0.357937 0.863577 P\n0.140234 0.060510 0.280072 P\n0.373509 0.142689 0.295015 P\n0.643820 0.931908 0.385294 P\n0.305384 0.121987 0.524968 P\n0.848597 0.377527 0.967216 P\n0.862686 0.014845 0.406187 P\n0.143820 0.068092 0.614706 P\n0.905206 0.378723 0.632308 P\n0.398693 0.988560 0.260605 P\n0.805862 0.357726 0.530096 P\n0.855351 0.862190 0.037140 P\n0.870360 0.516693 0.580293 P\n0.539353 0.037763 0.974986 Se\n0.042282 0.478153 0.969163 Se\n0.608230 0.534267 0.703948 Se\n0.948374 0.802082 0.763299 Se\n0.542282 0.521847 0.030837 Se\n0.439919 0.698586 0.750252 Se\n0.039353 0.962237 0.025014 Se\n0.477114 0.540482 0.811071 Se\n0.501573 0.892717 0.440378 Se\n0.492517 0.531539 0.139014 Se\n0.993662 0.098722 0.225278 Se\n0.001573 0.107283 0.559622 Se\n0.992517 0.468461 0.860986 Se\n0.498536 0.398786 0.224645 Se\n0.972105 0.304814 0.581392 Se\n0.489691 0.692572 0.080280 Se\n0.604505 0.522718 0.373963 Se\n0.448374 0.197918 0.236701 Se\n0.603981 0.052452 0.302458 Se\n0.104505 0.477282 0.626037 Se\n0.481535 0.191608 0.567561 Se\n0.606320 0.039884 0.632360 Se\n0.500845 0.387603 0.560807 Se\n0.530721 0.886992 0.119596 Se\n0.530585 0.380392 0.882289 Se\n0.451576 0.535726 0.478401 Se\n0.439055 0.012447 0.529945 Se\n0.951576 0.464274 0.521599 Se\n0.000845 0.612397 0.439193 Se\n0.981018 0.987623 0.132494 Se\n0.939919 0.301414 0.249748 Se\n0.998536 0.601214 0.775355 Se\n0.030721 0.113008 0.880404 Se\n0.481018 0.012377 0.867506 Se\n0.106320 0.960116 0.367640 Se\n0.977114 0.459518 0.188929 Se\n0.989691 0.307428 0.919720 Se\n0.981535 0.808392 0.432439 Se\n0.493662 0.901278 0.774722 Se\n0.472105 0.695186 0.418608 Se\n0.103981 0.947548 0.697542 Se\n0.108230 0.465733 0.296052 Se\n0.961173 0.979181 0.803000 Se\n0.030585 0.619608 0.117711 Se\n0.939055 0.987553 0.470055 Se\n0.500182 0.189372 0.908303 Se\n0.461173 0.020819 0.197000 Se\n0.000182 0.810628 0.091697 Se\n0.357909 0.803279 0.985662 Br\n0.840184 0.181765 0.133616 Br\n0.868705 0.198104 0.679795 Br\n0.860427 0.877471 0.263624 Br\n0.847990 0.875031 0.927258 Br\n0.368452 0.323315 0.686089 Br\n0.340210 0.816227 0.203821 Br\n0.347990 0.124969 0.072742 Br\n0.380277 0.323861 0.353557 Br\n0.371200 0.124133 0.404586 Br\n0.856542 0.678868 0.980388 Br\n0.340184 0.818235 0.866384 Br\n0.840210 0.183773 0.796179 Br\n0.358386 0.818563 0.534058 Br\n0.375497 0.625384 0.582317 Br\n0.858386 0.181437 0.465942 Br\n0.840429 0.705824 0.197130 Br\n0.352863 0.625615 0.916259 Br\n0.858590 0.703549 0.527100 Br\n0.857909 0.196721 0.014338 Br\n0.875497 0.374616 0.417683 Br\n0.368705 0.801896 0.320205 Br\n0.382302 0.800905 0.652494 Br\n0.364114 0.624022 0.250126 Br\n0.880277 0.676139 0.646443 Br\n0.871200 0.875867 0.595414 Br\n0.882302 0.199095 0.347506 Br\n0.868452 0.676685 0.313911 Br\n0.864114 0.375978 0.749874 Br\n0.358590 0.296451 0.472900 Br\n0.342471 0.299812 0.139547 Br\n0.356542 0.321132 0.019612 Br\n0.842471 0.700188 0.860453 Br\n0.340429 0.294176 0.802870 Br\n0.852863 0.374385 0.083741 Br\n0.360427 0.122529 0.736376 Br\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Br-Cu-P-Se",
"density": 4.055476979465903,
"density_atomic": 0.03929697975779092,
"volume": 4275.137708685938,
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"formula_full": "Cu36 P48 Se48 Br36",
"formula_reduced": "Cu3P4Se4Br3",
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"energy": -712.16644955,
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"total_magnetization": 4.46e-05,
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"updated_at": "2021-11-28T01:37:04.467000Z",
"spacegroup": 4
},
{
"id": "mp-1200273",
"created_at": "2022-09-04T14:45:19.087268Z",
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{
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"updated_at": "2021-11-28T01:37:15.325000Z",
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},
{
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"created_at": "2022-09-04T14:39:18.514006Z",
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H\n0.869856 0.466669 0.646919 H\n0.321232 0.084894 0.385344 H\n0.678768 0.915106 0.614656 H\n0.115937 0.947644 0.358787 H\n0.884063 0.052356 0.641213 H\n0.199272 0.972516 0.432732 H\n0.800728 0.027484 0.567268 H\n0.376573 0.898811 0.264713 H\n0.623427 0.101189 0.735287 H\n0.315832 0.701134 0.256542 H\n0.684168 0.298866 0.743458 H\n0.166142 0.767162 0.254604 H\n0.833858 0.232838 0.745396 H\n0.768354 0.722207 0.309121 H\n0.231646 0.277793 0.690879 H\n0.619128 0.757239 0.272970 H\n0.380872 0.242761 0.727030 H\n0.788163 0.910191 0.321037 H\n0.211837 0.089809 0.678963 H\n0.511689 0.478738 0.348979 H\n0.488311 0.521262 0.651021 H\n0.372818 0.501407 0.396492 H\n0.627182 0.498593 0.603508 H\n0.347562 0.504874 0.320144 H\n0.652438 0.495126 0.679856 H\n0.667870 0.740460 0.482762 H\n0.332130 0.259540 0.517238 H\n0.795646 0.716895 0.431554 H\n0.204354 0.283105 0.568446 H\n0.817381 0.902634 0.460744 H\n0.182619 0.097366 0.539256 H\n0.378301 0.257823 0.974837 C\n0.621699 0.742177 0.025163 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C\n0.271621 0.217384 0.554799 C\n0.064356 0.007334 0.935135 N\n0.935644 0.992666 0.064865 N\n0.949491 0.852494 0.898135 N\n0.050509 0.147506 0.101865 N\n0.567812 0.017324 0.435811 N\n0.432188 0.982676 0.564189 N\n0.474432 0.857174 0.399036 N\n0.525568 0.142826 0.600964 N\n",
"nsites": 168,
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"elements": [
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],
"chemical_system": "C-H-Li-N-Si",
"density": 0.9027532768025829,
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"volume_molar": 6.712839236006039,
"formula_full": "Li4 Si12 H108 C36 N8",
"formula_reduced": "LiSi3H27C9N2",
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"energy": -877.44255189,
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"updated_at": "2021-11-28T01:34:29.911000Z",
"spacegroup": 2
},
{
"id": "mp-1201038",
"created_at": "2022-09-04T14:40:31.167918Z",
"structure_string": "K4 Na4 Al24 Si24 H16 O96\n1.0\n5.182626 -0.000017 -0.490040\n0.000210 18.077672 0.001609\n-0.031131 0.000008 19.890393\nK Na Al Si H O\n4 4 24 24 16 96\ndirect\n0.999912 0.451476 0.750016 K\n0.000007 0.045776 0.250040 K\n0.499919 0.801180 0.250066 K\n0.999963 0.952286 0.750039 K\n0.499622 0.213789 0.750198 Na\n0.499785 0.288263 0.250094 Na\n0.499545 0.710676 0.750201 Na\n0.999955 0.559945 0.250063 Na\n0.250338 0.456732 0.499723 Al\n0.464595 0.369238 0.637169 Al\n0.749553 0.456749 0.000369 Al\n0.535364 0.369320 0.862907 Al\n0.754510 0.043174 0.499286 Al\n0.538543 0.131644 0.361557 Al\n0.245357 0.043201 0.000799 Al\n0.461391 0.131644 0.138505 Al\n0.750338 0.208053 0.498647 Al\n0.249567 0.208073 0.001426 Al\n0.254018 0.292410 0.499520 Al\n0.745902 0.292424 0.000559 Al\n0.252937 0.956373 0.502326 Al\n0.468259 0.868856 0.638949 Al\n0.746985 0.956406 0.997768 Al\n0.531672 0.868926 0.861157 Al\n0.752337 0.542214 0.497670 Al\n0.542685 0.627547 0.360348 Al\n0.247598 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"elements": [
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"updated_at": "2021-11-28T01:34:58.045000Z",
"spacegroup": 3
},
{
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"created_at": "2022-09-04T14:42:09.333546Z",
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"updated_at": "2021-11-28T01:35:38.365000Z",
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}
]
}