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{
"id": "mp-1199458",
"created_at": "2022-09-04T14:43:12.259160Z",
"structure_string": "Co12 B6 P24 H12 Pb24 Cl6 O108\n1.0\n-4.918416 -8.519084 0.000002\n4.918419 -8.519086 0.000007\n0.000017 -5.679404 30.763960\nCo B P H Pb Cl O\n12 6 24 12 24 6 108\ndirect\n0.813308 0.549695 0.339824 Co\n0.549671 0.297198 0.339822 Co\n0.297243 0.813299 0.339830 Co\n0.313309 0.797174 0.839824 Co\n0.797243 0.049631 0.839830 Co\n0.049671 0.313310 0.839822 Co\n0.186698 0.450340 0.660174 Co\n0.450341 0.702783 0.660177 Co\n0.702767 0.186694 0.660173 Co\n0.686697 0.202786 0.160175 Co\n0.202766 0.950364 0.160173 Co\n0.950341 0.686697 0.160177 Co\n0.249996 0.729546 0.250001 B\n0.729538 0.770467 0.249998 B\n0.770463 0.249999 0.250002 B\n0.749997 0.270455 0.750002 B\n0.270463 0.229536 0.750002 B\n0.229538 0.749996 0.749997 B\n0.927045 0.494375 0.439349 P\n0.494371 0.139239 0.439345 P\n0.139200 0.927056 0.439350 P\n0.427046 0.639224 0.939350 P\n0.639204 0.994391 0.939347 P\n0.994370 0.427045 0.939346 P\n0.072949 0.505613 0.560658 P\n0.505623 0.860764 0.560660 P\n0.860794 0.072943 0.560656 P\n0.572949 0.360789 0.060656 P\n0.360791 0.005611 0.060658 P\n0.005623 0.572953 0.060659 P\n0.167648 0.576266 0.323941 P\n0.576265 0.932150 0.323939 P\n0.932169 0.167643 0.323940 P\n0.667644 0.432148 0.823942 P\n0.432165 0.076256 0.823940 P\n0.076258 0.667652 0.823938 P\n0.832344 0.423750 0.676060 P\n0.423738 0.067846 0.676059 P\n0.067823 0.832361 0.676059 P\n0.332349 0.567843 0.176058 P\n0.567828 0.923749 0.176059 P\n0.923744 0.332352 0.176061 P\n0.795048 0.534383 0.259948 H\n0.534385 0.410650 0.259948 H\n0.410710 0.794943 0.259949 H\n0.295047 0.910620 0.759948 H\n0.910712 0.034396 0.759949 H\n0.034385 0.295016 0.759948 H\n0.205013 0.465600 0.740054 H\n0.465604 0.589337 0.740054 H\n0.589311 0.205030 0.740056 H\n0.705013 0.089334 0.240054 H\n0.089309 0.965606 0.240056 H\n0.965603 0.705005 0.240054 H\n0.738802 0.470671 0.562954 Pb\n0.470750 0.227555 0.562917 Pb\n0.227638 0.738698 0.562964 Pb\n0.238773 0.727604 0.062961 Pb\n0.727627 0.970717 0.062957 Pb\n0.970743 0.238804 0.062916 Pb\n0.261206 0.529321 0.437050 Pb\n0.529268 0.772428 0.437083 Pb\n0.772360 0.261301 0.437037 Pb\n0.761236 0.272389 0.937044 Pb\n0.272372 0.029285 0.937043 Pb\n0.029274 0.761196 0.937084 Pb\n0.125978 0.125893 0.622255 Pb\n0.625979 0.625887 0.122255 Pb\n0.874017 0.874145 0.377754 Pb\n0.374017 0.374071 0.877753 Pb\n0.167511 0.167574 0.497346 Pb\n0.667508 0.667572 0.997346 Pb\n0.832471 0.832441 0.502660 Pb\n0.332473 0.332425 0.002660 Pb\n0.213099 0.213125 0.360682 Pb\n0.713099 0.713116 0.860682 Pb\n0.786864 0.786887 0.639323 Pb\n0.286864 0.286901 0.139323 Pb\n0.546133 0.546139 0.361630 Cl\n0.046132 0.046097 0.861631 Cl\n0.453868 0.453879 0.638374 Cl\n0.953868 0.953881 0.138375 Cl\n0.499998 0.500001 0.500003 Cl\n0.000000 0.999997 0.000003 Cl\n0.844646 0.466286 0.405311 O\n0.466292 0.283753 0.405306 O\n0.283731 0.844655 0.405311 O\n0.344654 0.783750 0.905311 O\n0.783733 0.966302 0.905310 O\n0.966293 0.344644 0.905307 O\n0.155370 0.533683 0.594691 O\n0.533698 0.716255 0.594694 O\n0.716270 0.155341 0.594691 O\n0.655363 0.216262 0.094691 O\n0.216268 0.033700 0.094691 O\n0.033698 0.655361 0.094694 O\n0.818897 0.328498 0.642505 O\n0.328498 0.210100 0.642504 O\n0.210088 0.818898 0.642504 O\n0.318898 0.710099 0.142504 O\n0.710089 0.828512 0.142503 O\n0.828497 0.318896 0.142505 O\n0.181094 0.671504 0.357498 O\n0.671473 0.789908 0.357499 O\n0.789918 0.181117 0.357497 O\n0.681091 0.289904 0.857499 O\n0.289916 0.171467 0.857498 O\n0.171472 0.681123 0.857498 O\n0.889873 0.594073 0.572099 O\n0.594081 0.943949 0.572097 O\n0.943979 0.889857 0.572096 O\n0.389873 0.443952 0.072099 O\n0.443979 0.094067 0.072096 O\n0.094080 0.389871 0.072097 O\n0.110132 0.405930 0.427903 O\n0.405931 0.056033 0.427904 O\n0.056017 0.110138 0.427906 O\n0.610134 0.556037 0.927903 O\n0.556015 0.905939 0.927905 O\n0.905932 0.610133 0.927904 O\n0.977490 0.135631 0.560998 O\n0.135623 0.325898 0.560997 O\n0.325902 0.977478 0.560999 O\n0.477488 0.825884 0.060999 O\n0.825902 0.635621 0.060998 O\n0.635626 0.477485 0.060997 O\n0.022505 0.864374 0.439004 O\n0.864357 0.674103 0.439003 O\n0.674097 0.022531 0.439004 O\n0.522508 0.174114 0.939004 O\n0.174097 0.364368 0.939004 O\n0.364354 0.522534 0.939003 O\n0.144190 0.679197 0.278487 O\n0.679194 0.898135 0.278485 O\n0.898127 0.144185 0.278488 O\n0.644191 0.398122 0.778487 O\n0.398130 0.179202 0.778488 O\n0.179190 0.644190 0.778484 O\n0.855798 0.320808 0.721517 O\n0.320802 0.101866 0.721519 O\n0.101873 0.855812 0.721515 O\n0.355799 0.601880 0.221517 O\n0.601870 0.820796 0.221516 O\n0.820807 0.355810 0.221520 O\n0.754982 0.624523 0.277208 O\n0.624521 0.343302 0.277210 O\n0.343310 0.754957 0.277210 O\n0.254978 0.843288 0.777206 O\n0.843311 0.124519 0.777211 O\n0.124520 0.254971 0.777210 O\n0.245027 0.375476 0.722792 O\n0.375477 0.656693 0.722791 O\n0.656697 0.245029 0.722794 O\n0.745031 0.156705 0.222793 O\n0.156696 0.875483 0.222793 O\n0.875476 0.745036 0.222791 O\n0.888596 0.421177 0.484074 O\n0.421181 0.206178 0.484069 O\n0.206154 0.888579 0.484075 O\n0.388594 0.706152 0.984075 O\n0.706152 0.921199 0.984073 O\n0.921174 0.388577 0.984070 O\n0.111416 0.578827 0.515927 O\n0.578822 0.793817 0.515930 O\n0.793837 0.111418 0.515927 O\n0.611418 0.293832 0.015927 O\n0.293837 0.078812 0.015929 O\n0.078829 0.611424 0.015930 O\n0.018152 0.563111 0.336396 O\n0.563128 0.082332 0.336396 O\n0.082352 0.018138 0.336396 O\n0.518149 0.582349 0.836396 O\n0.582349 0.063117 0.836397 O\n0.063128 0.518144 0.836396 O\n0.981835 0.436896 0.663604 O\n0.436869 0.917673 0.663604 O\n0.917650 0.981850 0.663605 O\n0.481838 0.417657 0.163605 O\n0.417652 0.936890 0.163605 O\n0.936870 0.481853 0.163604 O\n0.952340 0.314106 0.322757 O\n0.314103 0.410817 0.322761 O\n0.410804 0.952338 0.322758 O\n0.452341 0.910798 0.822758 O\n0.910803 0.814103 0.822758 O\n0.814103 0.452319 0.822762 O\n0.047673 0.685899 0.677241 O\n0.685891 0.589185 0.677240 O\n0.589174 0.047673 0.677240 O\n0.547670 0.089187 0.177240 O\n0.089177 0.185906 0.177240 O\n0.185892 0.547683 0.177240 O\n",
"nsites": 192,
"nelements": 7,
"elements": [
"Co",
"B",
"P",
"H",
"Pb",
"Cl",
"O"
],
"chemical_system": "B-Cl-Co-H-O-P-Pb",
"density": 5.436903124691487,
"density_atomic": 0.07447503137361615,
"volume": 2578.045238232941,
"volume_molar": 8.086120474107554,
"formula_full": "Co12 B6 P24 H12 Pb24 Cl6 O108",
"formula_reduced": "Co2BP4H2Pb4ClO18",
"formula_anonymous": "ABC2D2E4F4G18",
"energy": -1353.65127195,
"energy_per_atom": -7.05026704140625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1256.11527195,
"band_gap": 3.0187,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0012837,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.402000Z",
"spacegroup": 167
},
{
"id": "mp-31003",
"created_at": "2022-09-04T14:48:05.651106Z",
"structure_string": "B80 H104 I8\n1.0\n12.319264 0.000000 0.000000\n0.000000 14.390284 0.000000\n0.000000 7.055598 12.643544\nB H I\n80 104 8\ndirect\n0.771495 0.664760 0.830955 B\n0.271495 0.835240 0.669045 B\n0.228505 0.335240 0.169045 B\n0.728505 0.164760 0.330955 B\n0.800220 0.609886 0.746863 B\n0.300220 0.890114 0.753137 B\n0.199780 0.390114 0.253137 B\n0.699780 0.109886 0.246863 B\n0.697292 0.660516 0.648078 B\n0.197292 0.839484 0.851922 B\n0.302708 0.339484 0.351922 B\n0.802708 0.160516 0.148078 B\n0.671654 0.815190 0.579141 B\n0.171654 0.684810 0.920859 B\n0.328346 0.184810 0.420859 B\n0.828346 0.315190 0.079141 B\n0.752470 0.889115 0.622679 B\n0.252470 0.610885 0.877321 B\n0.247530 0.110885 0.377321 B\n0.747530 0.389115 0.122679 B\n0.744167 0.818192 0.763011 B\n0.244167 0.681808 0.736989 B\n0.255833 0.181808 0.236989 B\n0.755833 0.318192 0.263011 B\n0.667687 0.609054 0.785485 B\n0.167687 0.890946 0.714515 B\n0.332313 0.390946 0.214515 B\n0.832313 0.109054 0.285485 B\n0.595377 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"nsites": 192,
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"elements": [
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],
"chemical_system": "B-H-I",
"density": 1.470529909430403,
"density_atomic": 0.0856600408566463,
"volume": 2241.418496651381,
"volume_molar": 7.030280046303232,
"formula_full": "B80 H104 I8",
"formula_reduced": "B10H13I",
"formula_anonymous": "AB10C13",
"energy": -919.98536911,
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"updated_at": "2021-11-28T01:38:28.454000Z",
"spacegroup": 14
},
{
"id": "mp-651750",
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{
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{
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