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{
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{
"id": "mp-1236302",
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"structure_string": "Li1 Bi3 Pb1 W1 Cl1 O8\n1.0\n3.981708 0.000000 0.000000\n0.000000 3.981708 0.000000\n0.000000 0.000000 14.993459\nLi Bi Pb W Cl O\n1 3 1 1 1 8\ndirect\n0.500000 0.500000 0.325493 Li\n0.500000 0.500000 0.141562 Bi\n0.000000 0.000000 0.364421 Bi\n0.000000 0.000000 0.633919 Bi\n0.500000 0.500000 0.800185 Pb\n0.000000 0.000000 0.005140 W\n0.500000 0.500000 0.495399 Cl\n0.000000 0.000000 0.142933 O\n0.500000 0.000000 0.029759 O\n0.000000 0.500000 0.029759 O\n0.000000 0.000000 0.883356 O\n0.500000 0.000000 0.705273 O\n0.000000 0.500000 0.705273 O\n0.500000 0.000000 0.296898 O\n0.000000 0.500000 0.296898 O\n",
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},
{
"id": "mp-1199188",
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"structure_string": "Ti8 Si28 H168 C56 Cl24 O8\n1.0\n12.465276 0.000000 -3.559562\n0.000000 17.613396 0.000000\n0.028402 0.000000 18.719800\nTi Si H C Cl O\n8 28 168 56 24 8\ndirect\n0.416222 0.898735 0.948486 Ti\n0.916222 0.601265 0.448486 Ti\n0.583778 0.101265 0.051514 Ti\n0.083778 0.398735 0.551514 Ti\n0.418582 0.988458 0.158488 Ti\n0.918582 0.511542 0.658488 Ti\n0.581418 0.011542 0.841512 Ti\n0.081418 0.488458 0.341512 Ti\n0.556970 0.256461 0.157936 Si\n0.056970 0.243539 0.657936 Si\n0.443030 0.743539 0.842064 Si\n0.943030 0.756461 0.342064 Si\n0.301098 0.149458 0.203750 Si\n0.801098 0.350542 0.703750 Si\n0.698902 0.850542 0.796250 Si\n0.198902 0.649458 0.296250 Si\n0.369377 0.258906 0.153589 Si\n0.869377 0.241094 0.653589 Si\n0.630623 0.741094 0.846411 Si\n0.130623 0.758906 0.346411 Si\n0.116630 0.125248 0.134912 Si\n0.616630 0.374752 0.634912 Si\n0.883370 0.874752 0.865088 Si\n0.383370 0.625248 0.365088 Si\n0.311410 0.156071 0.334435 Si\n0.811410 0.343929 0.834435 Si\n0.688590 0.843929 0.665565 Si\n0.188590 0.656071 0.165565 Si\n0.612251 0.363542 0.096426 Si\n0.112251 0.136458 0.596426 Si\n0.387749 0.636458 0.903574 Si\n0.887749 0.863542 0.403574 Si\n0.683922 0.232127 0.275889 Si\n0.183922 0.267873 0.775889 Si\n0.316078 0.767873 0.724111 Si\n0.816078 0.732127 0.224111 Si\n0.357764 0.397932 0.174624 H\n0.857764 0.102068 0.674624 H\n0.642236 0.602068 0.825376 H\n0.142236 0.897932 0.325376 H\n0.387652 0.348867 0.261196 H\n0.887652 0.151133 0.761196 H\n0.612348 0.651133 0.738804 H\n0.112348 0.848867 0.238804 H\n0.254787 0.348574 0.201421 H\n0.754787 0.151426 0.701421 H\n0.745213 0.651426 0.798579 H\n0.245213 0.848574 0.298579 H\n0.206673 0.267570 0.044927 H\n0.706673 0.232430 0.544927 H\n0.793327 0.732430 0.955073 H\n0.293327 0.767570 0.455073 H\n0.313733 0.223234 0.018014 H\n0.813733 0.276766 0.518014 H\n0.686267 0.776766 0.981986 H\n0.186267 0.723234 0.481986 H\n0.312835 0.323711 0.030385 H\n0.812835 0.176289 0.530385 H\n0.687165 0.676289 0.969615 H\n0.187165 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H\n0.598768 0.718691 0.626805 H\n0.098768 0.781309 0.126805 H\n0.498006 0.206370 0.392886 H\n0.998006 0.293630 0.892886 H\n0.501994 0.793630 0.607114 H\n0.001994 0.706370 0.107114 H\n0.439227 0.405937 0.008395 H\n0.939227 0.094063 0.508395 H\n0.560773 0.594063 0.991605 H\n0.060773 0.905937 0.491605 H\n0.496827 0.328966 0.970143 H\n0.996827 0.171034 0.470143 H\n0.503173 0.671034 0.029857 H\n0.003173 0.828966 0.529857 H\n0.550318 0.422250 0.971878 H\n0.050318 0.077750 0.471878 H\n0.449682 0.577750 0.028122 H\n0.949682 0.922250 0.528122 H\n0.641787 0.500608 0.123907 H\n0.141787 0.999392 0.623907 H\n0.358213 0.499392 0.876093 H\n0.858213 0.000608 0.376093 H\n0.687490 0.446742 0.206840 H\n0.187490 0.053258 0.706840 H\n0.312510 0.553258 0.793160 H\n0.812510 0.946742 0.293160 H\n0.547725 0.464076 0.168840 H\n0.047725 0.035924 0.668840 H\n0.452275 0.535924 0.831160 H\n0.952275 0.964076 0.331160 H\n0.771999 0.390821 0.052720 H\n0.271999 0.109179 0.552720 H\n0.228001 0.609179 0.947280 H\n0.728001 0.890821 0.447280 H\n0.741635 0.291818 0.044447 H\n0.241635 0.208182 0.544447 H\n0.258365 0.708182 0.955553 H\n0.758365 0.791818 0.455553 H\n0.808468 0.331571 0.132492 H\n0.308468 0.168429 0.632492 H\n0.191532 0.668429 0.867508 H\n0.691532 0.831571 0.367508 H\n0.736179 0.311031 0.389158 H\n0.236179 0.188969 0.889158 H\n0.263821 0.688969 0.610842 H\n0.763821 0.811031 0.110842 H\n0.600012 0.329247 0.340966 H\n0.100012 0.170753 0.840966 H\n0.399988 0.670753 0.659034 H\n0.899988 0.829247 0.159034 H\n0.705667 0.370110 0.309463 H\n0.205667 0.129890 0.809463 H\n0.294333 0.629890 0.690537 H\n0.794333 0.870110 0.190537 H\n0.876483 0.202887 0.321533 H\n0.376483 0.297113 0.821533 H\n0.123517 0.797113 0.678467 H\n0.623517 0.702887 0.178467 H\n0.855857 0.270881 0.248967 H\n0.355857 0.229119 0.748967 H\n0.144143 0.729119 0.751033 H\n0.644143 0.770881 0.251033 H\n0.826738 0.172848 0.227460 H\n0.326738 0.327152 0.727460 H\n0.173262 0.827152 0.772540 H\n0.673262 0.672848 0.272541 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"nsites": 292,
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],
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"volume": 4111.822150342272,
"volume_molar": 8.480127318303783,
"formula_full": "Ti8 Si28 H168 C56 Cl24 O8",
"formula_reduced": "Ti2Si7H42C14(Cl3O)2",
"formula_anonymous": "A2B2C6D7E14F42",
"energy": -1534.08816598,
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"updated_at": "2021-11-28T01:36:29.286000Z",
"spacegroup": 14
},
{
"id": "mp-772411",
"created_at": "2022-09-04T14:47:07.806296Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.777434 0.000000 0.000000\n0.014372 8.869193 0.000000\n0.008618 0.156218 10.230653\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.750579 0.084059 0.879450 Na\n0.744006 0.082257 0.378345 Na\n0.000579 0.256527 0.623457 Na\n0.499333 0.256029 0.623617 Na\n0.999864 0.255147 0.125948 Na\n0.498188 0.745141 0.874831 Na\n0.498276 0.744245 0.377130 Na\n0.000740 0.744693 0.376623 Na\n0.523193 0.273643 0.116058 Li\n0.020585 0.728776 0.884111 Li\n0.242382 0.909638 0.627049 Li\n0.254266 0.911811 0.124641 Li\n0.254450 0.359616 0.889732 Mn\n0.250922 0.362148 0.387226 Mn\n0.751289 0.641895 0.612794 Mn\n0.754100 0.643567 0.110137 Mn\n0.756893 0.413662 0.854260 P\n0.745442 0.408673 0.350300 P\n0.245655 0.597405 0.650384 P\n0.255783 0.592264 0.145981 P\n0.241070 0.044556 0.868151 C\n0.250997 0.052008 0.363951 C\n0.751053 0.941670 0.634096 C\n0.741343 0.947220 0.131117 C\n0.751240 0.086327 0.644809 O\n0.723496 0.092505 0.140175 O\n0.247294 0.085898 0.989069 O\n0.249605 0.089425 0.486879 O\n0.256041 0.145915 0.773990 O\n0.253308 0.155668 0.272217 O\n0.938843 0.316785 0.895352 O\n0.571459 0.326609 0.905335 O\n0.933340 0.316483 0.387796 O\n0.565248 0.316564 0.400230 O\n0.748478 0.425757 0.701869 O\n0.249448 0.437690 0.589622 O\n0.733238 0.423694 0.197433 O\n0.267420 0.429979 0.090023 O\n0.768080 0.576417 0.907896 O\n0.233005 0.577386 0.802564 O\n0.749416 0.569155 0.408413 O\n0.247768 0.575855 0.297936 O\n0.431787 0.692410 0.614623 O\n0.067751 0.693559 0.601994 O\n0.435779 0.691968 0.106571 O\n0.071646 0.682033 0.096393 O\n0.753044 0.854531 0.737922 O\n0.753570 0.862342 0.236687 O\n0.748595 0.880080 0.519225 O\n0.748631 0.882940 0.018455 O\n0.221411 0.903644 0.836997 O\n0.250071 0.911733 0.330133 O\n",
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],
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"density": 2.838872465497548,
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"volume": 614.9683391232298,
"volume_molar": 7.121972886814432,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
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},
{
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},
{
"id": "mp-1177596",
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"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n6.103634 0.000000 0.000000\n0.000000 10.433356 0.000000\n0.000000 0.078001 14.306330\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.750253 0.003440 0.666031 Li\n0.249619 0.002660 0.999982 Li\n0.750381 0.002660 0.999982 Li\n0.250644 0.002096 0.333405 Li\n0.749356 0.002096 0.333405 Li\n0.249747 0.003440 0.666031 Li\n0.248441 0.496852 0.499715 Li\n0.751559 0.496852 0.499715 Li\n0.249893 0.497523 0.167315 Li\n0.750107 0.497523 0.167315 Li\n0.251092 0.497932 0.833330 Li\n0.748908 0.497932 0.833330 Li\n0.500000 0.782192 0.492796 Mn\n0.500000 0.781619 0.826668 Mn\n0.000000 0.719721 0.659807 Mn\n0.000000 0.719275 0.993804 Mn\n0.500000 0.782550 0.159666 Fe\n0.000000 0.718618 0.325440 Fe\n0.500000 0.279502 0.009167 Fe\n0.500000 0.279708 0.343038 Fe\n0.500000 0.284786 0.681439 Co\n0.000000 0.223306 0.840776 Co\n0.000000 0.217931 0.505367 Co\n0.000000 0.217713 0.173819 Co\n0.000000 0.911477 0.805641 P\n0.000000 0.908467 0.140631 P\n0.000000 0.908790 0.470532 P\n0.500000 0.591624 0.305619 P\n0.500000 0.588600 0.639114 P\n0.500000 0.591150 0.972714 P\n0.000000 0.403746 0.360141 P\n0.000000 0.402557 0.027803 P\n0.000000 0.403054 0.693603 P\n0.500000 0.097528 0.860796 P\n0.500000 0.096332 0.194131 P\n0.500000 0.098633 0.527195 P\n0.500000 0.958323 0.236247 O\n0.500000 0.959975 0.569099 O\n0.500000 0.959326 0.902402 O\n0.000000 0.904179 0.577963 O\n0.000000 0.905719 0.913120 O\n0.000000 0.905441 0.247869 O\n0.202626 0.837525 0.096580 O\n0.797374 0.837525 0.096580 O\n0.201422 0.838207 0.425723 O\n0.798578 0.838207 0.425723 O\n0.201575 0.840847 0.760711 O\n0.798425 0.840847 0.760711 O\n0.701849 0.658248 0.593943 O\n0.298151 0.658248 0.593943 O\n0.702321 0.663295 0.261054 O\n0.297679 0.663295 0.261054 O\n0.702183 0.661082 0.927552 O\n0.297817 0.661082 0.927552 O\n0.500000 0.594246 0.412856 O\n0.500000 0.595410 0.080150 O\n0.500000 0.593180 0.746486 O\n0.000000 0.541947 0.400921 O\n0.000000 0.539791 0.069270 O\n0.000000 0.539951 0.736562 O\n0.500000 0.453161 0.265231 O\n0.500000 0.453231 0.931888 O\n0.500000 0.448887 0.600565 O\n0.000000 0.400505 0.252670 O\n0.000000 0.400465 0.920246 O\n0.000000 0.402035 0.586543 O\n0.201916 0.331427 0.072414 O\n0.201901 0.333156 0.405521 O\n0.200950 0.331146 0.738526 O\n0.799050 0.331146 0.738526 O\n0.798084 0.331427 0.072414 O\n0.798099 0.333156 0.405521 O\n0.704220 0.166670 0.904603 O\n0.295780 0.166670 0.904603 O\n0.703227 0.167376 0.237821 O\n0.706021 0.166304 0.569703 O\n0.296773 0.167376 0.237821 O\n0.293979 0.166304 0.569703 O\n0.500000 0.102194 0.752973 O\n0.500000 0.101056 0.418766 O\n0.500000 0.096760 0.086531 O\n0.000000 0.049917 0.765470 O\n0.000000 0.046429 0.098566 O\n0.000000 0.047416 0.430047 O\n",
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{
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]
}