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"structure_string": "Ho11 Te16 Cl1 O48\n1.0\n5.566769 0.000000 0.000000\n-2.044064 11.814888 0.000000\n-1.911033 -3.831427 18.123520\nHo Te Cl O\n11 16 1 48\ndirect\n0.131421 0.569710 0.729376 Ho\n0.083398 0.886222 0.186278 Ho\n0.916602 0.113778 0.813722 Ho\n0.868579 0.430290 0.270624 Ho\n0.718661 0.784768 0.705554 Ho\n0.283302 0.103759 0.477814 Ho\n0.281339 0.215232 0.294446 Ho\n0.000000 0.000000 0.000000 Ho\n0.557090 0.680707 0.222491 Ho\n0.716698 0.896241 0.522186 Ho\n0.442910 0.319293 0.777509 Ho\n0.790329 0.208987 0.618271 Te\n0.491879 0.804667 0.049924 Te\n0.165150 0.683390 0.563972 Te\n0.069440 0.448249 0.890198 Te\n0.646885 0.113540 0.165310 Te\n0.794455 0.993724 0.338993 Te\n0.205545 0.006276 0.661007 Te\n0.228782 0.325707 0.118867 Te\n0.834850 0.316610 0.436028 Te\n0.771218 0.674293 0.881133 Te\n0.209671 0.791013 0.381729 Te\n0.508121 0.195333 0.950076 Te\n0.353115 0.886460 0.834690 Te\n0.509909 0.554723 0.392266 Te\n0.490091 0.445277 0.607734 Te\n0.930560 0.551751 0.109802 Te\n0.500000 0.500000 0.000000 Cl\n0.470948 0.731987 0.433700 O\n0.184319 0.162138 0.078821 O\n0.871904 0.924702 0.647915 O\n0.308817 0.393564 0.680924 O\n0.377823 0.781524 0.139798 O\n0.147496 0.291333 0.854242 O\n0.109757 0.312321 0.210673 O\n0.443558 0.603026 0.656460 O\n0.600064 0.256715 0.221104 O\n0.658748 0.198564 0.709080 O\n0.910295 0.076860 0.225090 O\n0.341252 0.801436 0.290920 O\n0.089705 0.923140 0.774910 O\n0.070194 0.648357 0.928340 O\n0.691183 0.606436 0.319076 O\n0.815681 0.837862 0.921179 O\n0.929806 0.351643 0.071660 O\n0.396660 0.934608 0.437263 O\n0.150215 0.141951 0.726467 O\n0.852504 0.708667 0.145758 O\n0.622177 0.218476 0.860202 O\n0.697766 0.081030 0.957606 O\n0.291177 0.494986 0.824408 O\n0.019786 0.231491 0.488304 O\n0.813303 0.454100 0.653515 O\n0.529052 0.268013 0.566300 O\n0.554261 0.195907 0.399924 O\n0.604965 0.959845 0.787115 O\n0.900651 0.948699 0.428487 O\n0.445739 0.804093 0.600076 O\n0.849785 0.858049 0.273533 O\n0.128096 0.075298 0.352085 O\n0.186697 0.545900 0.346485 O\n0.099349 0.051301 0.571513 O\n0.708823 0.505014 0.175592 O\n0.201045 0.085508 0.911668 O\n0.203373 0.552912 0.182503 O\n0.603340 0.065392 0.562737 O\n0.395035 0.040155 0.212885 O\n0.556442 0.396974 0.343540 O\n0.798955 0.914492 0.088332 O\n0.001957 0.308860 0.351423 O\n0.796627 0.447088 0.817497 O\n0.302234 0.918970 0.042394 O\n0.399936 0.743285 0.778896 O\n0.980214 0.768509 0.511696 O\n0.998043 0.691140 0.648577 O\n0.890243 0.687679 0.789327 O\n",
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"elements": [
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],
"chemical_system": "Cl-Ho-O-Te",
"density": 6.4906840662006315,
"density_atomic": 0.06375852063304953,
"volume": 1191.9975439424647,
"volume_molar": 9.445232888415537,
"formula_full": "Ho11 Te16 Cl1 O48",
"formula_reduced": "Ho11Te16ClO48",
"formula_anonymous": "AB11C16D48",
"energy": -529.31771047,
"energy_per_atom": -6.964706716710526,
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"formation_energy": null,
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"energy_uncorrected": -495.72771047,
"band_gap": 2.7926,
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"total_magnetization": 0.000678,
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"updated_at": "2021-11-28T01:34:51.680000Z",
"spacegroup": 2
},
{
"id": "mp-775393",
"created_at": "2022-09-04T14:40:11.285209Z",
"structure_string": "Li8 Cr12 Sb4 O32\n1.0\n8.540764 0.000000 0.000000\n0.000000 8.540764 0.000000\n0.000000 0.000000 8.540764\nLi Cr Sb O\n8 12 4 32\ndirect\n0.496887 0.496887 0.496887 Li\n0.753113 0.753113 0.753113 Li\n0.746887 0.246887 0.253113 Li\n0.003113 0.503113 0.996887 Li\n0.996887 0.003113 0.503113 Li\n0.253113 0.746887 0.246887 Li\n0.246887 0.253113 0.746887 Li\n0.503113 0.996887 0.003113 Li\n0.620536 0.629464 0.125000 Cr\n0.625000 0.879464 0.370536 Cr\n0.629464 0.125000 0.620536 Cr\n0.870536 0.875000 0.120536 Cr\n0.875000 0.120536 0.870536 Cr\n0.879464 0.370536 0.625000 Cr\n0.120536 0.870536 0.875000 Cr\n0.125000 0.620536 0.629464 Cr\n0.129464 0.375000 0.379464 Cr\n0.370536 0.625000 0.879464 Cr\n0.375000 0.379464 0.129464 Cr\n0.379464 0.129464 0.375000 Cr\n0.625000 0.375000 0.875000 Sb\n0.875000 0.625000 0.375000 Sb\n0.125000 0.125000 0.125000 Sb\n0.375000 0.875000 0.625000 Sb\n0.612582 0.611548 0.886539 O\n0.613461 0.387418 0.111548 O\n0.612157 0.112157 0.387843 O\n0.638452 0.637418 0.363461 O\n0.611548 0.886539 0.612582 O\n0.637843 0.862157 0.137843 O\n0.636539 0.138452 0.862582 O\n0.637418 0.363461 0.638452 O\n0.862582 0.636539 0.138452 O\n0.863461 0.861548 0.362582 O\n0.862157 0.137843 0.637843 O\n0.888452 0.113461 0.112582 O\n0.861548 0.362582 0.863461 O\n0.887843 0.887843 0.887843 O\n0.886539 0.612582 0.611548 O\n0.887418 0.388452 0.386539 O\n0.112582 0.888452 0.113461 O\n0.113461 0.112582 0.888452 O\n0.112157 0.387843 0.612157 O\n0.138452 0.862582 0.636539 O\n0.111548 0.613461 0.387418 O\n0.137843 0.637843 0.862157 O\n0.136539 0.361548 0.137418 O\n0.137418 0.136539 0.361548 O\n0.362582 0.863461 0.861548 O\n0.363461 0.638452 0.637418 O\n0.362157 0.362157 0.362157 O\n0.388452 0.386539 0.887418 O\n0.361548 0.137418 0.136539 O\n0.387843 0.612157 0.112157 O\n0.386539 0.887418 0.388452 O\n0.387418 0.111548 0.613461 O\n",
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],
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"formula_full": "Li8 Cr12 Sb4 O32",
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}
]
}