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{
"id": "mp-1198926",
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"structure_string": "Re8 H96 C24 S24 N48 Cl48\n1.0\n11.362463 0.000000 0.000000\n-0.000000 16.101656 0.000000\n0.000000 0.000000 20.513876\nRe H C S N Cl\n8 96 24 24 48 48\ndirect\n0.697341 0.158412 0.386195 Re\n0.197341 0.341588 0.613805 Re\n0.302659 0.658412 0.113805 Re\n0.802659 0.841588 0.886195 Re\n0.302659 0.841588 0.613805 Re\n0.802659 0.658412 0.386195 Re\n0.697341 0.341588 0.886195 Re\n0.197341 0.158412 0.113805 Re\n0.560739 0.389321 0.296352 H\n0.060739 0.110679 0.703648 H\n0.439261 0.889321 0.203648 H\n0.939261 0.610679 0.796352 H\n0.439261 0.610679 0.703648 H\n0.939261 0.889321 0.296352 H\n0.560739 0.110679 0.796352 H\n0.060739 0.389321 0.203648 H\n0.663865 0.322422 0.259010 H\n0.163865 0.177578 0.740990 H\n0.336135 0.822422 0.240990 H\n0.836135 0.677578 0.759010 H\n0.336135 0.677578 0.740990 H\n0.836135 0.822422 0.259010 H\n0.663865 0.177578 0.759010 H\n0.163865 0.322422 0.240990 H\n0.440892 0.472467 0.236615 H\n0.940892 0.027533 0.763385 H\n0.559108 0.972467 0.263385 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N\n0.099608 0.366336 0.245225 N\n0.478024 0.450538 0.194112 N\n0.978024 0.049462 0.805888 N\n0.521976 0.950538 0.305888 N\n0.021976 0.549462 0.694112 N\n0.521976 0.549462 0.805888 N\n0.021976 0.950538 0.194112 N\n0.478024 0.049462 0.694112 N\n0.978024 0.450538 0.305888 N\n0.582235 0.165142 0.130747 N\n0.082235 0.334858 0.869253 N\n0.417765 0.665142 0.369253 N\n0.917765 0.834858 0.630747 N\n0.417765 0.834858 0.869253 N\n0.917765 0.665142 0.130747 N\n0.582235 0.334858 0.630747 N\n0.082235 0.165142 0.369253 N\n0.768825 0.121913 0.159717 N\n0.268825 0.378087 0.840283 N\n0.231175 0.621913 0.340283 N\n0.731175 0.878087 0.659717 N\n0.231175 0.878087 0.840283 N\n0.731175 0.621913 0.159717 N\n0.768825 0.378087 0.659717 N\n0.268825 0.121913 0.340283 N\n0.792723 0.346966 0.483463 N\n0.292723 0.153034 0.516537 N\n0.207277 0.846966 0.016537 N\n0.707277 0.653034 0.983463 N\n0.207277 0.653034 0.516537 N\n0.707277 0.846966 0.483463 N\n0.792723 0.153034 0.983463 N\n0.292723 0.346966 0.016537 N\n0.628364 0.426886 0.462186 N\n0.128364 0.073114 0.537814 N\n0.371636 0.926886 0.037814 N\n0.871636 0.573114 0.962186 N\n0.371636 0.573114 0.537814 N\n0.871636 0.926886 0.462186 N\n0.628364 0.073114 0.962186 N\n0.128364 0.426886 0.037814 N\n0.549466 0.168641 0.304069 Cl\n0.049466 0.331359 0.695931 Cl\n0.450534 0.668641 0.195931 Cl\n0.950534 0.831359 0.804069 Cl\n0.450534 0.831359 0.695931 Cl\n0.950534 0.668641 0.304069 Cl\n0.549466 0.331359 0.804069 Cl\n0.049466 0.168641 0.195931 Cl\n0.814860 0.256908 0.330966 Cl\n0.314860 0.243092 0.669034 Cl\n0.185140 0.756908 0.169034 Cl\n0.685140 0.743092 0.830966 Cl\n0.185140 0.743092 0.669034 Cl\n0.685140 0.756908 0.330966 Cl\n0.814860 0.243092 0.830966 Cl\n0.314860 0.256908 0.169034 Cl\n0.840622 0.144153 0.469894 Cl\n0.340622 0.355847 0.530106 Cl\n0.159378 0.644153 0.030106 Cl\n0.659378 0.855847 0.969894 Cl\n0.159378 0.855847 0.530106 Cl\n0.659378 0.644153 0.469894 Cl\n0.840622 0.355847 0.969894 Cl\n0.340622 0.144153 0.030106 Cl\n0.786598 0.049795 0.326789 Cl\n0.286598 0.450205 0.673211 Cl\n0.213402 0.549795 0.173211 Cl\n0.713402 0.950205 0.826789 Cl\n0.213402 0.950205 0.673211 Cl\n0.713402 0.549795 0.326789 Cl\n0.786598 0.450205 0.826789 Cl\n0.286598 0.049795 0.173211 Cl\n0.574643 0.060641 0.442776 Cl\n0.074643 0.439359 0.557224 Cl\n0.425357 0.560641 0.057224 Cl\n0.925357 0.939359 0.942776 Cl\n0.425357 0.939359 0.557224 Cl\n0.925357 0.560641 0.442776 Cl\n0.574643 0.439359 0.942776 Cl\n0.074643 0.060641 0.057224 Cl\n0.904076 0.463698 0.149841 Cl\n0.404076 0.036302 0.850159 Cl\n0.095924 0.963698 0.350159 Cl\n0.595924 0.536302 0.649841 Cl\n0.095924 0.536302 0.850159 Cl\n0.595924 0.963698 0.149841 Cl\n0.904076 0.036302 0.649841 Cl\n0.404076 0.463698 0.350159 Cl\n",
"nsites": 248,
"nelements": 6,
"elements": [
"Re",
"H",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Re-S",
"density": 2.2203171893955416,
"density_atomic": 0.06607861456164282,
"volume": 3753.105322277119,
"volume_molar": 9.113600216878217,
"formula_full": "Re8 H96 C24 S24 N48 Cl48",
"formula_reduced": "ReH12C3S3(NCl)6",
"formula_anonymous": "AB3C3D6E6F12",
"energy": -1383.39971652,
"energy_per_atom": -5.578224663387097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1324.52771652,
"band_gap": 1.0428,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0001263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.828000Z",
"spacegroup": 61
},
{
"id": "mp-1197528",
"created_at": "2022-09-04T14:48:21.510204Z",
"structure_string": "Li16 Si8 H144 C48 N32\n1.0\n10.213995 6.650486 0.000000\n-10.213995 6.650486 0.000000\n0.094410 -6.650486 18.648654\nLi Si H C N\n16 8 144 48 32\ndirect\n0.497599 0.928302 0.265002 Li\n0.663300 0.732597 0.234998 Li\n0.502401 0.071698 0.734998 Li\n0.336700 0.267403 0.765002 Li\n0.889601 0.139601 0.250000 Li\n0.110399 0.860399 0.750000 Li\n0.422706 0.672706 0.250000 Li\n0.577294 0.327294 0.750000 Li\n0.684961 0.983490 0.355343 Li\n0.628147 0.829618 0.144657 Li\n0.315039 0.016510 0.644657 Li\n0.371853 0.170382 0.855343 Li\n0.628762 0.026090 0.192638 Li\n0.833452 0.936124 0.307362 Li\n0.371238 0.973910 0.807362 Li\n0.166548 0.063876 0.692638 Li\n0.787391 0.210811 0.341101 Si\n0.869710 0.946289 0.158899 Si\n0.212609 0.789189 0.658899 Si\n0.130290 0.053711 0.841101 Si\n0.383882 0.709876 0.126432 Si\n0.583443 0.757449 0.373568 Si\n0.616118 0.290124 0.873568 Si\n0.416557 0.242551 0.626433 Si\n0.998430 0.498105 0.344194 H\n0.153911 0.154236 0.155806 H\n0.001570 0.501895 0.655806 H\n0.846089 0.845764 0.844194 H\n0.041284 0.381470 0.361760 H\n0.019710 0.179525 0.138240 H\n0.958716 0.618530 0.638240 H\n0.980290 0.820475 0.861760 H\n0.040977 0.416491 0.277928 H\n0.138563 0.263049 0.222072 H\n0.959023 0.583509 0.722072 H\n0.861437 0.736951 0.777928 H\n0.788495 0.437696 0.271997 H\n0.165700 0.016498 0.228003 H\n0.211505 0.562304 0.728003 H\n0.834300 0.983502 0.771997 H\n0.837261 0.379335 0.199764 H\n0.179571 0.137498 0.300236 H\n0.162739 0.620665 0.800236 H\n0.820429 0.862502 0.699764 H\n0.695458 0.280943 0.215256 H\n0.065686 0.980202 0.284744 H\n0.304542 0.719057 0.784744 H\n0.934314 0.019798 0.715256 H\n0.838677 0.484945 0.488542 H\n0.996404 0.850135 0.011458 H\n0.161323 0.515055 0.511458 H\n0.003596 0.149865 0.988542 H\n0.892384 0.499388 0.412447 H\n0.086941 0.979937 0.087553 H\n0.107616 0.500612 0.587553 H\n0.913059 0.020063 0.912447 H\n0.729355 0.436772 0.403496 H\n0.033276 0.825859 0.096504 H\n0.270645 0.563228 0.596504 H\n0.966724 0.174141 0.903496 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0.843954 0.453733 H\n0.650386 0.453733 0.843954 H\n0.650386 0.843954 0.551928 H\n0.843954 0.650386 0.453733 H\n0.849614 0.046267 0.948072 H\n0.948072 0.849614 0.046267 H\n0.656046 0.046267 0.849614 H\n0.948072 0.656046 0.849614 H\n0.656046 0.948072 0.046267 H\n0.849614 0.948072 0.656046 H\n0.046267 0.849614 0.656046 H\n0.046267 0.656046 0.948072 H\n0.843954 0.551928 0.650386 H\n0.453733 0.843954 0.650386 H\n0.453733 0.551928 0.843954 H\n0.551928 0.453733 0.650386 H\n0.650386 0.551928 0.453733 H\n0.453733 0.650386 0.551928 H\n0.849614 0.656046 0.046267 H\n0.656046 0.849614 0.948072 H\n0.948072 0.046267 0.656046 H\n0.879756 0.988785 0.181974 H\n0.511215 0.318026 0.050515 H\n0.050515 0.620244 0.511215 H\n0.511215 0.050515 0.620244 H\n0.318026 0.620244 0.050515 H\n0.318026 0.050515 0.511215 H\n0.050515 0.318026 0.620244 H\n0.181974 0.879756 0.988785 H\n0.988785 0.181974 0.879756 H\n0.449485 0.879756 0.181974 H\n0.988785 0.449485 0.181974 H\n0.449485 0.988785 0.879756 H\n0.181974 0.988785 0.449485 H\n0.879756 0.181974 0.449485 H\n0.879756 0.449485 0.988785 H\n0.050515 0.511215 0.318026 H\n0.620244 0.050515 0.318026 H\n0.620244 0.511215 0.050515 H\n0.511215 0.620244 0.318026 H\n0.318026 0.511215 0.620244 H\n0.620244 0.318026 0.511215 H\n0.181974 0.449485 0.879756 H\n0.449485 0.181974 0.988785 H\n0.988785 0.879756 0.449485 H\n0.120244 0.011215 0.818026 H\n0.488785 0.681974 0.949485 H\n0.949485 0.379756 0.488785 H\n0.488785 0.949485 0.379756 H\n0.681974 0.379756 0.949485 H\n0.681974 0.949485 0.488785 H\n0.949485 0.681974 0.379756 H\n0.818026 0.120244 0.011215 H\n0.011215 0.818026 0.120244 H\n0.550515 0.120244 0.818026 H\n0.011215 0.550515 0.818026 H\n0.550515 0.011215 0.120244 H\n0.818026 0.011215 0.550515 H\n0.120244 0.818026 0.550515 H\n0.120244 0.550515 0.011215 H\n0.949485 0.488785 0.681974 H\n0.379756 0.949485 0.681974 H\n0.379756 0.488785 0.949485 H\n0.488785 0.379756 0.681974 H\n0.681974 0.488785 0.379756 H\n0.379756 0.681974 0.488785 H\n0.818026 0.550515 0.120244 H\n0.550515 0.818026 0.011215 H\n0.011215 0.120244 0.550515 H\n0.997849 0.925619 0.182253 H\n0.574381 0.317747 0.105721 H\n0.105721 0.502151 0.574381 H\n0.574381 0.105721 0.502151 H\n0.317747 0.502151 0.105721 H\n0.317747 0.105721 0.574381 H\n0.105721 0.317747 0.502151 H\n0.182253 0.997849 0.925619 H\n0.925619 0.182253 0.997849 H\n0.394278 0.997849 0.182253 H\n0.925619 0.394278 0.182253 H\n0.394278 0.925619 0.997849 H\n0.182253 0.925619 0.394278 H\n0.997849 0.182253 0.394278 H\n0.997849 0.394278 0.925619 H\n0.105721 0.574381 0.317747 H\n0.502151 0.105721 0.317747 H\n0.502151 0.574381 0.105721 H\n0.574381 0.502151 0.317747 H\n0.317747 0.574381 0.502151 H\n0.502151 0.317747 0.574381 H\n0.182253 0.394278 0.997849 H\n0.394278 0.182253 0.925619 H\n0.925619 0.997849 0.394278 H\n0.002151 0.074381 0.817747 H\n0.425619 0.682253 0.894278 H\n0.894278 0.497849 0.425619 H\n0.425619 0.894278 0.497849 H\n0.682253 0.497849 0.894278 H\n0.682253 0.894278 0.425619 H\n0.894278 0.682253 0.497849 H\n0.817747 0.002151 0.074381 H\n0.074381 0.817747 0.002151 H\n0.605722 0.002151 0.817747 H\n0.074381 0.605722 0.817747 H\n0.605722 0.074381 0.002151 H\n0.817747 0.074381 0.605722 H\n0.002151 0.817747 0.605722 H\n0.002151 0.605722 0.074381 H\n0.894278 0.425619 0.682253 H\n0.497849 0.894278 0.682253 H\n0.497849 0.425619 0.894278 H\n0.425619 0.497849 0.682253 H\n0.682253 0.425619 0.497849 H\n0.497849 0.682253 0.425619 H\n0.817747 0.605722 0.002151 H\n0.605722 0.817747 0.074381 H\n0.074381 0.002151 0.605722 H\n0.952748 0.991955 0.143173 N\n0.508045 0.356827 0.087875 N\n0.087875 0.547252 0.508045 N\n0.508045 0.087875 0.547252 N\n0.356827 0.547252 0.087875 N\n0.356827 0.087875 0.508045 N\n0.087875 0.356827 0.547252 N\n0.143173 0.952748 0.991955 N\n0.991955 0.143173 0.952748 N\n0.412125 0.952748 0.143173 N\n0.991955 0.412125 0.143173 N\n0.412125 0.991955 0.952748 N\n0.143173 0.991955 0.412125 N\n0.952748 0.143173 0.412125 N\n0.952748 0.412125 0.991955 N\n0.087875 0.508045 0.356827 N\n0.547252 0.087875 0.356827 N\n0.547252 0.508045 0.087875 N\n0.508045 0.547252 0.356827 N\n0.356827 0.508045 0.547252 N\n0.547252 0.356827 0.508045 N\n0.143173 0.412125 0.952748 N\n0.412125 0.143173 0.991955 N\n0.991955 0.952748 0.412125 N\n0.047252 0.008045 0.856827 N\n0.491955 0.643173 0.912125 N\n0.912125 0.452748 0.491955 N\n0.491955 0.912125 0.452748 N\n0.643173 0.452748 0.912125 N\n0.643173 0.912125 0.491955 N\n0.912125 0.643173 0.452748 N\n0.856827 0.047252 0.008045 N\n0.008045 0.856827 0.047252 N\n0.587875 0.047252 0.856827 N\n0.008045 0.587875 0.856827 N\n0.587875 0.008045 0.047252 N\n0.856827 0.008045 0.587875 N\n0.047252 0.856827 0.587875 N\n0.047252 0.587875 0.008045 N\n0.912125 0.491955 0.643173 N\n0.452748 0.912125 0.643173 N\n0.452748 0.491955 0.912125 N\n0.491955 0.452748 0.643173 N\n0.643173 0.491955 0.452748 N\n0.452748 0.643173 0.491955 N\n0.856827 0.587875 0.047252 N\n0.587875 0.856827 0.008045 N\n0.008045 0.047252 0.587875 N\n0.185284 0.185284 0.185284 Cl\n0.314716 0.314716 0.555852 Cl\n0.555852 0.314716 0.314716 Cl\n0.314716 0.555852 0.314716 Cl\n0.944148 0.185284 0.185284 Cl\n0.185284 0.944148 0.185284 Cl\n0.185284 0.185284 0.944148 Cl\n0.314716 0.314716 0.314716 Cl\n0.814716 0.814716 0.814716 Cl\n0.685284 0.685284 0.444148 Cl\n0.444148 0.685284 0.685284 Cl\n0.685284 0.444148 0.685284 Cl\n0.055852 0.814716 0.814716 Cl\n0.814716 0.055852 0.814716 Cl\n0.814716 0.814716 0.055852 Cl\n0.685284 0.685284 0.685284 Cl\n0.750000 0.085146 0.414854 Cl\n0.414854 0.085146 0.250000 Cl\n0.250000 0.750000 0.414854 Cl\n0.414854 0.250000 0.750000 Cl\n0.085146 0.750000 0.250000 Cl\n0.085146 0.250000 0.414854 Cl\n0.250000 0.085146 0.750000 Cl\n0.414854 0.750000 0.085146 Cl\n0.085146 0.414854 0.750000 Cl\n0.750000 0.414854 0.250000 Cl\n0.750000 0.250000 0.085146 Cl\n0.250000 0.414854 0.085146 Cl\n0.250000 0.914854 0.585146 Cl\n0.585146 0.914854 0.750000 Cl\n0.750000 0.250000 0.585146 Cl\n0.585146 0.750000 0.250000 Cl\n0.914854 0.250000 0.750000 Cl\n0.914854 0.750000 0.585146 Cl\n0.750000 0.914854 0.250000 Cl\n0.585146 0.250000 0.914854 Cl\n0.914854 0.585146 0.250000 Cl\n0.250000 0.585146 0.750000 Cl\n0.250000 0.750000 0.914854 Cl\n0.750000 0.585146 0.914854 Cl\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.250000 0.250000 0.250000 Cd\n0.250000 0.250000 0.750000 Cd\n0.750000 0.250000 0.250000 Cd\n0.250000 0.750000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.750000 0.750000 0.250000 Cd\n0.250000 0.750000 0.750000 Cd\n0.750000 0.250000 0.750000 Cd\n",
"nsites": 248,
"nelements": 5,
"elements": [
"H",
"N",
"Cl",
"Co",
"Cd"
],
"chemical_system": "Cd-Cl-Co-H-N",
"density": 2.048423802207481,
"density_atomic": 0.0848312577813171,
"volume": 2923.4507006757894,
"volume_molar": 7.09896436467348,
"formula_full": "Cd8 Co8 H144 N48 Cl40",
"formula_reduced": "CdCoH18N6Cl5",
"formula_anonymous": "ABC5D6E18",
"energy": -1210.87830207,
"energy_per_atom": -4.8825737986693545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1168.99030207,
"band_gap": 2.4999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.215000Z",
"spacegroup": 228
},
{
"id": "mp-1202845",
"created_at": "2022-09-04T14:44:19.427902Z",
"structure_string": "Li2 Cu4 Si24 H162 C54\n1.0\n13.426684 0.013022 -2.223217\n-7.050273 12.312972 -1.491326\n0.040534 0.028118 17.856649\nLi Cu Si H C\n2 4 24 162 54\ndirect\n0.887154 0.050961 0.238079 Li\n0.112846 0.949039 0.761921 Li\n0.690758 0.997155 0.264969 Cu\n0.309242 0.002845 0.735031 Cu\n0.804373 0.182565 0.244758 Cu\n0.195627 0.817435 0.755242 Cu\n0.630643 0.780271 0.370514 Si\n0.369357 0.219729 0.629486 Si\n0.598804 0.709369 0.150837 Si\n0.401196 0.290631 0.849163 Si\n0.875931 0.807313 0.295253 Si\n0.124069 0.192687 0.704747 Si\n0.124011 0.305470 0.332829 Si\n0.875989 0.694530 0.667171 Si\n0.049167 0.462806 0.197364 Si\n0.950833 0.537194 0.802636 Si\n0.007814 0.191047 0.112211 Si\n0.992186 0.808953 0.887789 Si\n0.424321 0.013915 0.287998 Si\n0.575679 0.986085 0.712002 Si\n0.564460 0.177241 0.148292 Si\n0.435540 0.822759 0.851708 Si\n0.696653 0.270923 0.377432 Si\n0.303347 0.729077 0.622568 Si\n0.718821 0.843097 0.266516 Si\n0.281179 0.156903 0.733484 Si\n0.986046 0.283510 0.222204 Si\n0.013954 0.716490 0.777796 Si\n0.612448 0.122685 0.266286 Si\n0.387552 0.877315 0.733714 Si\n0.597866 0.648211 0.455128 H\n0.402134 0.351789 0.544872 H\n0.586022 0.585582 0.360298 H\n0.413978 0.414418 0.639702 H\n0.723642 0.674621 0.423176 H\n0.276358 0.325379 0.576824 H\n0.664957 0.865143 0.508157 H\n0.335043 0.134857 0.491843 H\n0.793806 0.927136 0.475829 H\n0.206195 0.072864 0.524171 H\n0.686076 0.962048 0.448224 H\n0.313924 0.037952 0.551776 H\n0.436205 0.715134 0.394010 H\n0.563795 0.284866 0.605990 H\n0.457497 0.799246 0.324594 H\n0.542503 0.200754 0.675406 H\n0.425883 0.663233 0.296327 H\n0.574117 0.336767 0.703673 H\n0.436849 0.683969 0.047898 H\n0.563151 0.316031 0.952102 H\n0.428982 0.737669 0.139749 H\n0.571018 0.262331 0.860251 H\n0.528529 0.824471 0.090931 H\n0.471471 0.175529 0.909069 H\n0.463214 0.512183 0.109243 H\n0.536786 0.487817 0.890757 H\n0.572984 0.535163 0.189790 H\n0.427016 0.464837 0.810210 H\n0.459191 0.558097 0.204355 H\n0.540809 0.441903 0.795645 H\n0.618263 0.645671 0.022654 H\n0.381737 0.354329 0.977346 H\n0.726950 0.782934 0.059390 H\n0.273050 0.217066 0.940610 H\n0.741828 0.676778 0.094408 H\n0.258172 0.323222 0.905592 H\n0.032839 0.847802 0.408180 H\n0.967161 0.152198 0.591820 H\n0.998700 0.953829 0.415421 H\n0.001300 0.046171 0.584579 H\n0.909252 0.828884 0.440274 H\n0.090748 0.171116 0.559726 H\n0.043340 0.826129 0.247619 H\n0.956660 0.173871 0.752381 H\n0.941265 0.823118 0.170350 H\n0.058735 0.176882 0.829650 H\n0.034646 0.944789 0.241464 H\n0.965354 0.055211 0.758536 H\n0.897505 0.645251 0.297105 H\n0.102495 0.354749 0.702895 H\n0.760054 0.613464 0.311589 H\n0.239946 0.386536 0.688411 H\n0.785136 0.616896 0.216894 H\n0.214864 0.383104 0.783106 H\n0.167535 0.372385 0.474401 H\n0.832465 0.627615 0.525599 H\n0.137417 0.460224 0.423626 H\n0.862583 0.539776 0.576374 H\n0.023156 0.334509 0.431586 H\n0.976844 0.665491 0.568414 H\n0.332776 0.384640 0.385573 H\n0.667224 0.615360 0.614427 H\n0.299344 0.340765 0.283161 H\n0.700656 0.659235 0.716839 H\n0.307968 0.464552 0.323535 H\n0.692032 0.535448 0.676465 H\n0.152035 0.172922 0.401807 H\n0.847965 0.827078 0.598193 H\n0.005581 0.118779 0.359201 H\n0.994420 0.881221 0.640799 H\n0.103154 0.118752 0.301245 H\n0.896846 0.881248 0.698755 H\n0.120222 0.646203 0.273011 H\n0.879778 0.353797 0.726989 H\n0.040007 0.548890 0.325361 H\n0.959993 0.451110 0.674639 H\n0.183390 0.581087 0.325069 H\n0.816610 0.418913 0.674931 H\n0.205303 0.593055 0.145502 H\n0.794697 0.406945 0.854498 H\n0.244703 0.500540 0.180701 H\n0.755297 0.499460 0.819299 H\n0.147324 0.460992 0.088925 H\n0.852676 0.539008 0.911075 H\n0.971023 0.561005 0.125782 H\n0.028977 0.438995 0.874218 H\n0.906751 0.425266 0.073265 H\n0.093249 0.574734 0.926735 H\n0.858845 0.454429 0.155190 H\n0.141155 0.545571 0.844810 H\n0.950068 0.160443 0.969088 H\n0.049932 0.839557 0.030912 H\n0.862594 0.201166 0.011121 H\n0.137406 0.798834 0.988879 H\n0.004515 0.299218 0.010048 H\n0.995485 0.700782 0.989952 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"updated_at": "2021-11-28T01:37:39.977000Z",
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{
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"nelements": 7,
"elements": [
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"chemical_system": "C-F-H-N-O-S-Sm",
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"density_atomic": 0.07297457948223433,
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"volume_molar": 8.252381586475726,
"formula_full": "Sm4 H40 C24 S24 N12 O68 F72",
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"formula_anonymous": "AB3C6D6E10F17G18",
"energy": -1435.9013576799998,
"energy_per_atom": -5.884841629836065,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1351.58935768,
"band_gap": 5.6686,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.341000Z",
"spacegroup": 14
},
{
"id": "mp-1195359",
"created_at": "2022-09-04T14:39:06.492495Z",
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{
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}
]
}