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{
"id": "mp-1199872",
"created_at": "2022-09-04T14:45:06.927092Z",
"structure_string": "Pr22 Hg90\n1.0\n0.000000 11.224731 11.224731\n11.224731 0.000000 11.224731\n11.224731 11.224731 0.000000\nPr Hg\n22 90\ndirect\n0.000000 0.000000 0.000000 Pr\n0.015977 0.329027 0.639019 Pr\n0.015977 0.015977 0.639019 Pr\n0.329027 0.015977 0.639019 Pr\n0.015977 0.639019 0.329027 Pr\n0.329027 0.639019 0.015977 Pr\n0.015977 0.639019 0.015977 Pr\n0.639019 0.015977 0.015977 Pr\n0.639019 0.329027 0.015977 Pr\n0.639019 0.015977 0.329027 Pr\n0.329027 0.015977 0.015977 Pr\n0.015977 0.015977 0.329027 Pr\n0.015977 0.329027 0.015977 Pr\n0.250000 0.250000 0.250000 Pr\n0.405776 0.405776 0.782671 Pr\n0.405776 0.782671 0.405776 Pr\n0.782671 0.405776 0.405776 Pr\n0.405776 0.405776 0.405776 Pr\n0.661616 0.661616 0.015151 Pr\n0.661616 0.015151 0.661616 Pr\n0.015151 0.661616 0.661616 Pr\n0.661616 0.661616 0.661616 Pr\n0.082900 0.082900 0.751301 Hg\n0.082900 0.751301 0.082900 Hg\n0.751301 0.082900 0.082900 Hg\n0.082900 0.082900 0.082900 Hg\n0.914577 0.914577 0.256268 Hg\n0.914577 0.256268 0.914577 Hg\n0.256268 0.914577 0.914577 Hg\n0.914577 0.914577 0.914577 Hg\n0.153617 0.153617 0.846383 Hg\n0.846383 0.153617 0.846383 Hg\n0.153617 0.846383 0.846383 Hg\n0.846383 0.846383 0.153617 Hg\n0.153617 0.846383 0.153617 Hg\n0.846383 0.153617 0.153617 Hg\n0.391761 0.199746 0.016732 Hg\n0.391761 0.391761 0.016732 Hg\n0.199746 0.391761 0.016732 Hg\n0.391761 0.016732 0.199746 Hg\n0.199746 0.016732 0.391761 Hg\n0.391761 0.016732 0.391761 Hg\n0.016732 0.391761 0.391761 Hg\n0.016732 0.199746 0.391761 Hg\n0.016732 0.391761 0.199746 Hg\n0.199746 0.391761 0.391761 Hg\n0.391761 0.391761 0.199746 Hg\n0.391761 0.199746 0.391761 Hg\n0.162481 0.162481 0.512556 Hg\n0.162481 0.512556 0.162481 Hg\n0.512556 0.162481 0.162481 Hg\n0.162481 0.162481 0.162481 Hg\n0.258368 0.615171 0.868094 Hg\n0.258368 0.258368 0.868094 Hg\n0.615171 0.258368 0.868094 Hg\n0.258368 0.868094 0.615171 Hg\n0.615171 0.868094 0.258368 Hg\n0.258368 0.868094 0.258368 Hg\n0.868094 0.258368 0.258368 Hg\n0.868094 0.615171 0.258368 Hg\n0.868094 0.258368 0.615171 Hg\n0.615171 0.258368 0.258368 Hg\n0.258368 0.258368 0.615171 Hg\n0.258368 0.615171 0.258368 Hg\n0.500000 0.500000 0.500000 Hg\n0.642046 0.449766 0.266142 Hg\n0.642046 0.642046 0.266142 Hg\n0.449766 0.642046 0.266142 Hg\n0.642046 0.266142 0.449766 Hg\n0.449766 0.266142 0.642046 Hg\n0.642046 0.266142 0.642046 Hg\n0.266142 0.642046 0.642046 Hg\n0.266142 0.449766 0.642046 Hg\n0.266142 0.642046 0.449766 Hg\n0.449766 0.642046 0.642046 Hg\n0.642046 0.642046 0.449766 Hg\n0.642046 0.449766 0.642046 Hg\n0.511767 0.837254 0.139213 Hg\n0.511767 0.511767 0.139213 Hg\n0.837254 0.511767 0.139213 Hg\n0.511767 0.139213 0.837254 Hg\n0.837254 0.139213 0.511767 Hg\n0.511767 0.139213 0.511767 Hg\n0.139213 0.511767 0.511767 Hg\n0.139213 0.837254 0.511767 Hg\n0.139213 0.511767 0.837254 Hg\n0.837254 0.511767 0.511767 Hg\n0.511767 0.511767 0.837254 Hg\n0.511767 0.837254 0.511767 Hg\n0.750000 0.750000 0.750000 Hg\n0.827861 0.827861 0.516417 Hg\n0.827861 0.516417 0.827861 Hg\n0.516417 0.827861 0.827861 Hg\n0.827861 0.827861 0.827861 Hg\n0.911512 0.911512 0.588488 Hg\n0.588488 0.911512 0.588488 Hg\n0.911512 0.588488 0.588488 Hg\n0.588488 0.588488 0.911512 Hg\n0.911512 0.588488 0.911512 Hg\n0.588488 0.911512 0.911512 Hg\n0.764603 0.066151 0.404644 Hg\n0.764603 0.764603 0.404644 Hg\n0.066151 0.764603 0.404644 Hg\n0.764603 0.404644 0.066151 Hg\n0.066151 0.404644 0.764603 Hg\n0.764603 0.404644 0.764603 Hg\n0.404644 0.764603 0.764603 Hg\n0.404644 0.066151 0.764603 Hg\n0.404644 0.764603 0.066151 Hg\n0.066151 0.764603 0.764603 Hg\n0.764603 0.764603 0.066151 Hg\n0.764603 0.066151 0.764603 Hg\n",
"nsites": 112,
"nelements": 2,
"elements": [
"Pr",
"Hg"
],
"chemical_system": "Hg-Pr",
"density": 12.4183714946937,
"density_atomic": 0.03959681013183537,
"volume": 2828.5106711147246,
"volume_molar": 15.208651252334766,
"formula_full": "Pr22 Hg90",
"formula_reduced": "Pr11Hg45",
"formula_anonymous": "A11B45",
"energy": -164.86665163,
"energy_per_atom": -1.4720236752678573,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.3403596,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.031000Z",
"spacegroup": 216
},
{
"id": "mp-1197508",
"created_at": "2022-09-04T14:46:10.231718Z",
"structure_string": "Ho22 Cd90\n1.0\n0.000000 10.853264 10.853264\n10.853264 0.000000 10.853264\n10.853264 10.853264 0.000000\nHo Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Ho\n0.013787 0.333896 0.638530 Ho\n0.013787 0.013787 0.638530 Ho\n0.333896 0.013787 0.638530 Ho\n0.013787 0.638530 0.333896 Ho\n0.333896 0.638530 0.013787 Ho\n0.013787 0.638530 0.013787 Ho\n0.638530 0.013787 0.013787 Ho\n0.638530 0.333896 0.013787 Ho\n0.638530 0.013787 0.333896 Ho\n0.333896 0.013787 0.013787 Ho\n0.013787 0.013787 0.333896 Ho\n0.013787 0.333896 0.013787 Ho\n0.250000 0.250000 0.250000 Ho\n0.406257 0.406257 0.781230 Ho\n0.406257 0.781230 0.406257 Ho\n0.781230 0.406257 0.406257 Ho\n0.406257 0.406257 0.406257 Ho\n0.661955 0.661955 0.014134 Ho\n0.661955 0.014134 0.661955 Ho\n0.014134 0.661955 0.661955 Ho\n0.661955 0.661955 0.661955 Ho\n0.083242 0.083242 0.750275 Cd\n0.083242 0.750275 0.083242 Cd\n0.750275 0.083242 0.083242 Cd\n0.083242 0.083242 0.083242 Cd\n0.913256 0.913256 0.260233 Cd\n0.913256 0.260233 0.913256 Cd\n0.260233 0.913256 0.913256 Cd\n0.913256 0.913256 0.913256 Cd\n0.156336 0.156336 0.843664 Cd\n0.843664 0.156336 0.843664 Cd\n0.156336 0.843664 0.843664 Cd\n0.843664 0.843664 0.156336 Cd\n0.156336 0.843664 0.156336 Cd\n0.843664 0.156336 0.156336 Cd\n0.390576 0.201128 0.017719 Cd\n0.390576 0.390576 0.017719 Cd\n0.201128 0.390576 0.017719 Cd\n0.390576 0.017719 0.201128 Cd\n0.201128 0.017719 0.390576 Cd\n0.390576 0.017719 0.390576 Cd\n0.017719 0.390576 0.390576 Cd\n0.017719 0.201128 0.390576 Cd\n0.017719 0.390576 0.201128 Cd\n0.201128 0.390576 0.390576 Cd\n0.390576 0.390576 0.201128 Cd\n0.390576 0.201128 0.390576 Cd\n0.163516 0.163516 0.509453 Cd\n0.163516 0.509453 0.163516 Cd\n0.509453 0.163516 0.163516 Cd\n0.163516 0.163516 0.163516 Cd\n0.263196 0.611899 0.861709 Cd\n0.263196 0.263196 0.861709 Cd\n0.611899 0.263196 0.861709 Cd\n0.263196 0.861709 0.611899 Cd\n0.611899 0.861709 0.263196 Cd\n0.263196 0.861709 0.263196 Cd\n0.861709 0.263196 0.263196 Cd\n0.861709 0.611899 0.263196 Cd\n0.861709 0.263196 0.611899 Cd\n0.611899 0.263196 0.263196 Cd\n0.263196 0.263196 0.611899 Cd\n0.263196 0.611899 0.263196 Cd\n0.500000 0.500000 0.500000 Cd\n0.640423 0.450414 0.268740 Cd\n0.640423 0.640423 0.268740 Cd\n0.450414 0.640423 0.268740 Cd\n0.640423 0.268740 0.450414 Cd\n0.450414 0.268740 0.640423 Cd\n0.640423 0.268740 0.640423 Cd\n0.268740 0.640423 0.640423 Cd\n0.268740 0.450414 0.640423 Cd\n0.268740 0.640423 0.450414 Cd\n0.450414 0.640423 0.640423 Cd\n0.640423 0.640423 0.450414 Cd\n0.640423 0.450414 0.640423 Cd\n0.512359 0.833803 0.141479 Cd\n0.512359 0.512359 0.141479 Cd\n0.833803 0.512359 0.141479 Cd\n0.512359 0.141479 0.833803 Cd\n0.833803 0.141479 0.512359 Cd\n0.512359 0.141479 0.512359 Cd\n0.141479 0.512359 0.512359 Cd\n0.141479 0.833803 0.512359 Cd\n0.141479 0.512359 0.833803 Cd\n0.833803 0.512359 0.512359 Cd\n0.512359 0.512359 0.833803 Cd\n0.512359 0.833803 0.512359 Cd\n0.750000 0.750000 0.750000 Cd\n0.830020 0.830020 0.509939 Cd\n0.830020 0.509939 0.830020 Cd\n0.509939 0.830020 0.830020 Cd\n0.830020 0.830020 0.830020 Cd\n0.910996 0.910996 0.589004 Cd\n0.589004 0.910996 0.589004 Cd\n0.910996 0.589004 0.589004 Cd\n0.589004 0.589004 0.910996 Cd\n0.910996 0.589004 0.910996 Cd\n0.589004 0.910996 0.910996 Cd\n0.763931 0.067506 0.404631 Cd\n0.763931 0.763931 0.404631 Cd\n0.067506 0.763931 0.404631 Cd\n0.763931 0.404631 0.067506 Cd\n0.067506 0.404631 0.763931 Cd\n0.763931 0.404631 0.763931 Cd\n0.404631 0.763931 0.763931 Cd\n0.404631 0.067506 0.763931 Cd\n0.404631 0.763931 0.067506 Cd\n0.067506 0.763931 0.763931 Cd\n0.763931 0.763931 0.067506 Cd\n0.763931 0.067506 0.763931 Cd\n",
"nsites": 112,
"nelements": 2,
"elements": [
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho",
"density": 8.926828375638319,
"density_atomic": 0.043803309636241836,
"volume": 2556.8844210651564,
"volume_molar": 13.748140973844182,
"formula_full": "Ho22 Cd90",
"formula_reduced": "Ho11Cd45",
"formula_anonymous": "A11B45",
"energy": -208.48554405,
"energy_per_atom": -1.861478071875,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:20.219000Z",
"spacegroup": 216
},
{
"id": "mp-1199736",
"created_at": "2022-09-04T14:41:27.163439Z",
"structure_string": "Y22 Cd90\n1.0\n0.000000 10.892435 10.892435\n10.892435 0.000000 10.892435\n10.892435 10.892435 0.000000\nY Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Y\n0.013587 0.333165 0.639661 Y\n0.013587 0.013587 0.639661 Y\n0.333165 0.013587 0.639661 Y\n0.013587 0.639661 0.333165 Y\n0.333165 0.639661 0.013587 Y\n0.013587 0.639661 0.013587 Y\n0.639661 0.013587 0.013587 Y\n0.639661 0.333165 0.013587 Y\n0.639661 0.013587 0.333165 Y\n0.333165 0.013587 0.013587 Y\n0.013587 0.013587 0.333165 Y\n0.013587 0.333165 0.013587 Y\n0.250000 0.250000 0.250000 Y\n0.406655 0.406655 0.780036 Y\n0.406655 0.780036 0.406655 Y\n0.780036 0.406655 0.406655 Y\n0.406655 0.406655 0.406655 Y\n0.662004 0.662004 0.013988 Y\n0.662004 0.013988 0.662004 Y\n0.013988 0.662004 0.662004 Y\n0.662004 0.662004 0.662004 Y\n0.083466 0.083466 0.749602 Cd\n0.083466 0.749602 0.083466 Cd\n0.749602 0.083466 0.083466 Cd\n0.083466 0.083466 0.083466 Cd\n0.913392 0.913392 0.259825 Cd\n0.913392 0.259825 0.913392 Cd\n0.259825 0.913392 0.913392 Cd\n0.913392 0.913392 0.913392 Cd\n0.156263 0.156263 0.843737 Cd\n0.843737 0.156263 0.843737 Cd\n0.156263 0.843737 0.843737 Cd\n0.843737 0.843737 0.156263 Cd\n0.156263 0.843737 0.156263 Cd\n0.843737 0.156263 0.156263 Cd\n0.390921 0.200309 0.017849 Cd\n0.390921 0.390921 0.017849 Cd\n0.200309 0.390921 0.017849 Cd\n0.390921 0.017849 0.200309 Cd\n0.200309 0.017849 0.390921 Cd\n0.390921 0.017849 0.390921 Cd\n0.017849 0.390921 0.390921 Cd\n0.017849 0.200309 0.390921 Cd\n0.017849 0.390921 0.200309 Cd\n0.200309 0.390921 0.390921 Cd\n0.390921 0.390921 0.200309 Cd\n0.390921 0.200309 0.390921 Cd\n0.163206 0.163206 0.510382 Cd\n0.163206 0.510382 0.163206 Cd\n0.510382 0.163206 0.163206 Cd\n0.163206 0.163206 0.163206 Cd\n0.263313 0.610976 0.862398 Cd\n0.263313 0.263313 0.862398 Cd\n0.610976 0.263313 0.862398 Cd\n0.263313 0.862398 0.610976 Cd\n0.610976 0.862398 0.263313 Cd\n0.263313 0.862398 0.263313 Cd\n0.862398 0.263313 0.263313 Cd\n0.862398 0.610976 0.263313 Cd\n0.862398 0.263313 0.610976 Cd\n0.610976 0.263313 0.263313 Cd\n0.263313 0.263313 0.610976 Cd\n0.263313 0.610976 0.263313 Cd\n0.500000 0.500000 0.500000 Cd\n0.640713 0.449385 0.269189 Cd\n0.640713 0.640713 0.269189 Cd\n0.449385 0.640713 0.269189 Cd\n0.640713 0.269189 0.449385 Cd\n0.449385 0.269189 0.640713 Cd\n0.640713 0.269189 0.640713 Cd\n0.269189 0.640713 0.640713 Cd\n0.269189 0.449385 0.640713 Cd\n0.269189 0.640713 0.449385 Cd\n0.449385 0.640713 0.640713 Cd\n0.640713 0.640713 0.449385 Cd\n0.640713 0.449385 0.640713 Cd\n0.512590 0.833481 0.141338 Cd\n0.512590 0.512590 0.141338 Cd\n0.833481 0.512590 0.141338 Cd\n0.512590 0.141338 0.833481 Cd\n0.833481 0.141338 0.512590 Cd\n0.512590 0.141338 0.512590 Cd\n0.141338 0.512590 0.512590 Cd\n0.141338 0.833481 0.512590 Cd\n0.141338 0.512590 0.833481 Cd\n0.833481 0.512590 0.512590 Cd\n0.512590 0.512590 0.833481 Cd\n0.512590 0.833481 0.512590 Cd\n0.750000 0.750000 0.750000 Cd\n0.830211 0.830211 0.509368 Cd\n0.830211 0.509368 0.830211 Cd\n0.509368 0.830211 0.830211 Cd\n0.830211 0.830211 0.830211 Cd\n0.912124 0.912124 0.587876 Cd\n0.587876 0.912124 0.587876 Cd\n0.912124 0.587876 0.587876 Cd\n0.587876 0.587876 0.912124 Cd\n0.912124 0.587876 0.912124 Cd\n0.587876 0.912124 0.912124 Cd\n0.764082 0.067463 0.404374 Cd\n0.764082 0.764082 0.404374 Cd\n0.067463 0.764082 0.404374 Cd\n0.764082 0.404374 0.067463 Cd\n0.067463 0.404374 0.764082 Cd\n0.764082 0.404374 0.764082 Cd\n0.404374 0.764082 0.764082 Cd\n0.404374 0.067463 0.764082 Cd\n0.404374 0.764082 0.067463 Cd\n0.067463 0.764082 0.764082 Cd\n0.764082 0.764082 0.067463 Cd\n0.764082 0.067463 0.764082 Cd\n",
"nsites": 112,
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"elements": [
"Y",
"Cd"
],
"chemical_system": "Cd-Y",
"density": 7.756333012202736,
"density_atomic": 0.043332435180491145,
"volume": 2584.6689560254376,
"volume_molar": 13.897535956417354,
"formula_full": "Y22 Cd90",
"formula_reduced": "Y11Cd45",
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"energy": -252.41765841,
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"updated_at": "2021-11-28T01:35:22.987000Z",
"spacegroup": 216
},
{
"id": "mp-1204245",
"created_at": "2022-09-04T14:43:19.965385Z",
"structure_string": "Pr22 Cd90\n1.0\n0.000000 11.071702 11.071702\n11.071702 0.000000 11.071702\n11.071702 11.071702 0.000000\nPr Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Pr\n0.013209 0.332814 0.640768 Pr\n0.013209 0.013209 0.640768 Pr\n0.332814 0.013209 0.640768 Pr\n0.013209 0.640768 0.332814 Pr\n0.332814 0.640768 0.013209 Pr\n0.013209 0.640768 0.013209 Pr\n0.640768 0.013209 0.013209 Pr\n0.640768 0.332814 0.013209 Pr\n0.640768 0.013209 0.332814 Pr\n0.332814 0.013209 0.013209 Pr\n0.013209 0.013209 0.332814 Pr\n0.013209 0.332814 0.013209 Pr\n0.250000 0.250000 0.250000 Pr\n0.406464 0.406464 0.780607 Pr\n0.406464 0.780607 0.406464 Pr\n0.780607 0.406464 0.406464 Pr\n0.406464 0.406464 0.406464 Pr\n0.663386 0.663386 0.009843 Pr\n0.663386 0.009843 0.663386 Pr\n0.009843 0.663386 0.663386 Pr\n0.663386 0.663386 0.663386 Pr\n0.083648 0.083648 0.749055 Cd\n0.083648 0.749055 0.083648 Cd\n0.749055 0.083648 0.083648 Cd\n0.083648 0.083648 0.083648 Cd\n0.912708 0.912708 0.261877 Cd\n0.912708 0.261877 0.912708 Cd\n0.261877 0.912708 0.912708 Cd\n0.912708 0.912708 0.912708 Cd\n0.154753 0.154753 0.845247 Cd\n0.845247 0.154753 0.845247 Cd\n0.154753 0.845247 0.845247 Cd\n0.845247 0.845247 0.154753 Cd\n0.154753 0.845247 0.154753 Cd\n0.845247 0.154753 0.154753 Cd\n0.390804 0.200692 0.017701 Cd\n0.390804 0.390804 0.017701 Cd\n0.200692 0.390804 0.017701 Cd\n0.390804 0.017701 0.200692 Cd\n0.200692 0.017701 0.390804 Cd\n0.390804 0.017701 0.390804 Cd\n0.017701 0.390804 0.390804 Cd\n0.017701 0.200691 0.390804 Cd\n0.017701 0.390804 0.200691 Cd\n0.200692 0.390804 0.390804 Cd\n0.390804 0.390804 0.200692 Cd\n0.390804 0.200691 0.390804 Cd\n0.163343 0.163343 0.509971 Cd\n0.163343 0.509971 0.163343 Cd\n0.509971 0.163343 0.163343 Cd\n0.163343 0.163343 0.163343 Cd\n0.262863 0.614171 0.860102 Cd\n0.262863 0.262863 0.860102 Cd\n0.614171 0.262863 0.860102 Cd\n0.262863 0.860102 0.614171 Cd\n0.614171 0.860102 0.262863 Cd\n0.262863 0.860102 0.262863 Cd\n0.860102 0.262863 0.262863 Cd\n0.860102 0.614171 0.262863 Cd\n0.860102 0.262863 0.614171 Cd\n0.614171 0.262863 0.262863 Cd\n0.262863 0.262863 0.614171 Cd\n0.262863 0.614171 0.262863 Cd\n0.500000 0.500000 0.500000 Cd\n0.641075 0.450146 0.267704 Cd\n0.641075 0.641075 0.267704 Cd\n0.450146 0.641075 0.267704 Cd\n0.641075 0.267704 0.450146 Cd\n0.450146 0.267704 0.641075 Cd\n0.641075 0.267704 0.641075 Cd\n0.267704 0.641075 0.641075 Cd\n0.267704 0.450146 0.641075 Cd\n0.267704 0.641075 0.450146 Cd\n0.450146 0.641075 0.641075 Cd\n0.641075 0.641075 0.450146 Cd\n0.641075 0.450146 0.641075 Cd\n0.512514 0.833384 0.141587 Cd\n0.512514 0.512514 0.141587 Cd\n0.833384 0.512514 0.141587 Cd\n0.512514 0.141587 0.833384 Cd\n0.833384 0.141587 0.512514 Cd\n0.512514 0.141587 0.512514 Cd\n0.141587 0.512514 0.512514 Cd\n0.141587 0.833384 0.512514 Cd\n0.141587 0.512514 0.833384 Cd\n0.833384 0.512514 0.512514 Cd\n0.512514 0.512514 0.833384 Cd\n0.512514 0.833384 0.512514 Cd\n0.750000 0.750000 0.750000 Cd\n0.829963 0.829963 0.510111 Cd\n0.829963 0.510111 0.829963 Cd\n0.510111 0.829963 0.829963 Cd\n0.829963 0.829963 0.829963 Cd\n0.912716 0.912716 0.587284 Cd\n0.587284 0.912716 0.587284 Cd\n0.912716 0.587284 0.587284 Cd\n0.587284 0.587284 0.912716 Cd\n0.912716 0.587284 0.912716 Cd\n0.587284 0.912716 0.912716 Cd\n0.763556 0.069671 0.403216 Cd\n0.763556 0.763556 0.403216 Cd\n0.069671 0.763556 0.403216 Cd\n0.763556 0.403216 0.069671 Cd\n0.069671 0.403216 0.763556 Cd\n0.763556 0.403216 0.763556 Cd\n0.403216 0.763556 0.763556 Cd\n0.403216 0.069671 0.763556 Cd\n0.403216 0.763556 0.069671 Cd\n0.069671 0.763556 0.763556 Cd\n0.763556 0.763556 0.069671 Cd\n0.763556 0.069671 0.763556 Cd\n",
"nsites": 112,
"nelements": 2,
"elements": [
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr",
"density": 8.085510724433101,
"density_atomic": 0.04126148583048414,
"volume": 2714.3957069343824,
"volume_molar": 14.595065201337999,
"formula_full": "Pr22 Cd90",
"formula_reduced": "Pr11Cd45",
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"energy": -219.37118255,
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"updated_at": "2021-11-28T01:36:10.299000Z",
"spacegroup": 216
},
{
"id": "mp-567122",
"created_at": "2022-09-04T14:39:33.912423Z",
"structure_string": "Sm22 Cd90\n1.0\n0.000000 11.004697 11.004697\n11.004697 0.000000 11.004697\n11.004697 11.004697 0.000000\nSm Cd\n22 90\ndirect\n0.661536 0.661536 0.015393 Sm\n0.406680 0.406680 0.779960 Sm\n0.406680 0.779960 0.406680 Sm\n0.333078 0.014037 0.014037 Sm\n0.638849 0.014037 0.014037 Sm\n0.779960 0.406680 0.406680 Sm\n0.250000 0.250000 0.250000 Sm\n0.661536 0.015393 0.661536 Sm\n0.333078 0.014037 0.638849 Sm\n0.014037 0.333078 0.014037 Sm\n0.406680 0.406680 0.406680 Sm\n0.014037 0.638849 0.014037 Sm\n0.638849 0.333078 0.014037 Sm\n0.014037 0.014037 0.333078 Sm\n0.014037 0.638849 0.333078 Sm\n0.638849 0.014037 0.333078 Sm\n0.000000 0.000000 0.000000 Sm\n0.333078 0.638849 0.014037 Sm\n0.014037 0.014037 0.638849 Sm\n0.661536 0.661536 0.661536 Sm\n0.015393 0.661536 0.661536 Sm\n0.014037 0.333078 0.638849 Sm\n0.611442 0.262616 0.863326 Cd\n0.589006 0.910994 0.589006 Cd\n0.512436 0.512436 0.833282 Cd\n0.512436 0.141845 0.833282 Cd\n0.262616 0.262616 0.863326 Cd\n0.083157 0.083157 0.083157 Cd\n0.843573 0.156427 0.843573 Cd\n0.843573 0.156427 0.156427 Cd\n0.912060 0.263820 0.912060 Cd\n0.764234 0.067864 0.403669 Cd\n0.833282 0.512436 0.512436 Cd\n0.640315 0.450451 0.268919 Cd\n0.611442 0.863326 0.262616 Cd\n0.512436 0.833282 0.141845 Cd\n0.163737 0.163737 0.163737 Cd\n0.611442 0.262616 0.262616 Cd\n0.829729 0.829729 0.510813 Cd\n0.262616 0.863326 0.611442 Cd\n0.262616 0.262616 0.611442 Cd\n0.403669 0.764234 0.067864 Cd\n0.268919 0.640315 0.640315 Cd\n0.510813 0.829729 0.829729 Cd\n0.450451 0.640315 0.268919 Cd\n0.390696 0.390696 0.201406 Cd\n0.450451 0.640315 0.640315 Cd\n0.017202 0.390696 0.390696 Cd\n0.141845 0.512436 0.512436 Cd\n0.067864 0.403669 0.764234 Cd\n0.640315 0.640315 0.268919 Cd\n0.589006 0.589006 0.910994 Cd\n0.829729 0.510813 0.829729 Cd\n0.390696 0.390696 0.017202 Cd\n0.764234 0.764234 0.403669 Cd\n0.390696 0.017202 0.390696 Cd\n0.201406 0.390696 0.017202 Cd\n0.263820 0.912060 0.912060 Cd\n0.843573 0.843573 0.156427 Cd\n0.640315 0.450451 0.640315 Cd\n0.829729 0.829729 0.829729 Cd\n0.640315 0.268919 0.640315 Cd\n0.201406 0.017202 0.390696 Cd\n0.083157 0.750529 0.083157 Cd\n0.910994 0.589006 0.910994 Cd\n0.833282 0.141845 0.512436 Cd\n0.201406 0.390696 0.390696 Cd\n0.750000 0.750000 0.750000 Cd\n0.863326 0.611442 0.262616 Cd\n0.512436 0.833282 0.512436 Cd\n0.912060 0.912060 0.912060 Cd\n0.863326 0.262616 0.611442 Cd\n0.508789 0.163737 0.163737 Cd\n0.640315 0.640315 0.450451 Cd\n0.141845 0.512436 0.833282 Cd\n0.764234 0.067864 0.764234 Cd\n0.764234 0.403669 0.764234 Cd\n0.750529 0.083157 0.083157 Cd\n0.450451 0.268919 0.640315 Cd\n0.262616 0.611442 0.262616 Cd\n0.262616 0.863326 0.262616 Cd\n0.067864 0.764234 0.403669 Cd\n0.512436 0.141845 0.512436 Cd\n0.156427 0.843573 0.843573 Cd\n0.403669 0.764234 0.764234 Cd\n0.512436 0.512436 0.141845 Cd\n0.390696 0.201406 0.017202 Cd\n0.863326 0.262616 0.262616 Cd\n0.268919 0.450451 0.640315 Cd\n0.163737 0.508789 0.163737 Cd\n0.156427 0.843573 0.156427 Cd\n0.390696 0.201406 0.390696 Cd\n0.833282 0.512436 0.141845 Cd\n0.589006 0.910994 0.910994 Cd\n0.910994 0.589006 0.589006 Cd\n0.910994 0.910994 0.589006 Cd\n0.912060 0.912060 0.263820 Cd\n0.640315 0.268919 0.450451 Cd\n0.764234 0.403669 0.067864 Cd\n0.390696 0.017202 0.201406 Cd\n0.500000 0.500000 0.500000 Cd\n0.262616 0.611442 0.863326 Cd\n0.163737 0.163737 0.508789 Cd\n0.083157 0.083157 0.750529 Cd\n0.268919 0.640315 0.450451 Cd\n0.017202 0.390696 0.201406 Cd\n0.764234 0.764234 0.067864 Cd\n0.017202 0.201406 0.390696 Cd\n0.067864 0.764234 0.764234 Cd\n0.141845 0.833282 0.512436 Cd\n0.156427 0.156427 0.843573 Cd\n0.403669 0.067864 0.764234 Cd\n",
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"elements": [
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],
"chemical_system": "Cd-Sm",
"density": 8.363657057153118,
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"volume": 2665.4114782866427,
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"formula_full": "Sm22 Cd90",
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"updated_at": "2021-11-28T01:34:31.722000Z",
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},
{
"id": "mp-1202074",
"created_at": "2022-09-04T14:39:35.592294Z",
"structure_string": "Tm22 Cd90\n1.0\n0.000000 10.877016 10.877016\n10.877016 0.000000 10.877016\n10.877016 10.877016 0.000000\nTm Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Tm\n0.013704 0.333791 0.638802 Tm\n0.013704 0.013704 0.638802 Tm\n0.333791 0.013704 0.638802 Tm\n0.013704 0.638802 0.333791 Tm\n0.333791 0.638802 0.013704 Tm\n0.013704 0.638802 0.013704 Tm\n0.638802 0.013704 0.013704 Tm\n0.638802 0.333791 0.013704 Tm\n0.638802 0.013704 0.333791 Tm\n0.333791 0.013704 0.013704 Tm\n0.013704 0.013704 0.333791 Tm\n0.013704 0.333791 0.013704 Tm\n0.250000 0.250000 0.250000 Tm\n0.406440 0.406440 0.780681 Tm\n0.406440 0.780681 0.406440 Tm\n0.780681 0.406440 0.406440 Tm\n0.406440 0.406440 0.406440 Tm\n0.661664 0.661664 0.015008 Tm\n0.661664 0.015008 0.661664 Tm\n0.015008 0.661664 0.661664 Tm\n0.661664 0.661664 0.661664 Tm\n0.083428 0.083428 0.749717 Cd\n0.083428 0.749717 0.083428 Cd\n0.749717 0.083428 0.083428 Cd\n0.083428 0.083428 0.083428 Cd\n0.913457 0.913457 0.259630 Cd\n0.913457 0.259630 0.913457 Cd\n0.259630 0.913457 0.913457 Cd\n0.913457 0.913457 0.913457 Cd\n0.155986 0.155986 0.844014 Cd\n0.844014 0.155986 0.844014 Cd\n0.155986 0.844014 0.844014 Cd\n0.844014 0.844014 0.155986 Cd\n0.155986 0.844014 0.155986 Cd\n0.844014 0.155986 0.155986 Cd\n0.390847 0.200895 0.017411 Cd\n0.390847 0.390847 0.017411 Cd\n0.200895 0.390847 0.017411 Cd\n0.390847 0.017411 0.200895 Cd\n0.200895 0.017411 0.390847 Cd\n0.390847 0.017411 0.390847 Cd\n0.017411 0.390847 0.390847 Cd\n0.017411 0.200895 0.390847 Cd\n0.017411 0.390847 0.200895 Cd\n0.200895 0.390847 0.390847 Cd\n0.390847 0.390847 0.200895 Cd\n0.390847 0.200895 0.390847 Cd\n0.163227 0.163227 0.510320 Cd\n0.163227 0.510320 0.163227 Cd\n0.510320 0.163227 0.163227 Cd\n0.163227 0.163227 0.163227 Cd\n0.263139 0.610504 0.863218 Cd\n0.263139 0.263139 0.863218 Cd\n0.610504 0.263139 0.863218 Cd\n0.263139 0.863218 0.610504 Cd\n0.610504 0.863218 0.263139 Cd\n0.263139 0.863218 0.263139 Cd\n0.863218 0.263139 0.263139 Cd\n0.863218 0.610504 0.263139 Cd\n0.863218 0.263139 0.610504 Cd\n0.610504 0.263139 0.263139 Cd\n0.263139 0.263139 0.610504 Cd\n0.263139 0.610504 0.263139 Cd\n0.500000 0.500000 0.500000 Cd\n0.640529 0.450052 0.268890 Cd\n0.640529 0.640529 0.268890 Cd\n0.450052 0.640529 0.268890 Cd\n0.640529 0.268890 0.450052 Cd\n0.450052 0.268890 0.640529 Cd\n0.640529 0.268890 0.640529 Cd\n0.268890 0.640529 0.640529 Cd\n0.268890 0.450052 0.640529 Cd\n0.268890 0.640529 0.450052 Cd\n0.450052 0.640529 0.640529 Cd\n0.640529 0.640529 0.450052 Cd\n0.640529 0.450052 0.640529 Cd\n0.512790 0.833261 0.141159 Cd\n0.512790 0.512790 0.141159 Cd\n0.833261 0.512790 0.141159 Cd\n0.512790 0.141159 0.833261 Cd\n0.833261 0.141159 0.512790 Cd\n0.512790 0.141159 0.512790 Cd\n0.141159 0.512790 0.512790 Cd\n0.141159 0.833261 0.512790 Cd\n0.141159 0.512790 0.833261 Cd\n0.833261 0.512790 0.512790 Cd\n0.512790 0.512790 0.833261 Cd\n0.512790 0.833261 0.512790 Cd\n0.750000 0.750000 0.750000 Cd\n0.830105 0.830105 0.509685 Cd\n0.830105 0.509685 0.830105 Cd\n0.509685 0.830105 0.830105 Cd\n0.830105 0.830105 0.830105 Cd\n0.911193 0.911193 0.588807 Cd\n0.588807 0.911193 0.588807 Cd\n0.911193 0.588807 0.588807 Cd\n0.588807 0.588807 0.911193 Cd\n0.911193 0.588807 0.911193 Cd\n0.588807 0.911193 0.911193 Cd\n0.764203 0.066610 0.404984 Cd\n0.764203 0.764203 0.404984 Cd\n0.066610 0.764203 0.404984 Cd\n0.764203 0.404984 0.066610 Cd\n0.066610 0.404984 0.764203 Cd\n0.764203 0.404984 0.764203 Cd\n0.404984 0.764203 0.764203 Cd\n0.404984 0.066610 0.764203 Cd\n0.404984 0.764203 0.066610 Cd\n0.066610 0.764203 0.764203 Cd\n0.764203 0.764203 0.066610 Cd\n0.764203 0.066610 0.764203 Cd\n",
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"density": 8.925308003687691,
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"formula_full": "Tm22 Cd90",
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"updated_at": "2021-11-28T01:34:28.736000Z",
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},
{
"id": "mp-1204948",
"created_at": "2022-09-04T14:45:31.660434Z",
"structure_string": "La22 Hg90\n1.0\n0.000000 11.275194 11.275194\n11.275194 0.000000 11.275194\n11.275194 11.275194 0.000000\nLa Hg\n22 90\ndirect\n0.000000 0.000000 0.000000 La\n0.014988 0.330130 0.639894 La\n0.014988 0.014988 0.639894 La\n0.330130 0.014988 0.639894 La\n0.014988 0.639894 0.330130 La\n0.330130 0.639894 0.014988 La\n0.014988 0.639894 0.014988 La\n0.639894 0.014988 0.014988 La\n0.639894 0.330130 0.014988 La\n0.639894 0.014988 0.330130 La\n0.330130 0.014988 0.014988 La\n0.014988 0.014988 0.330130 La\n0.014988 0.330130 0.014988 La\n0.250000 0.250000 0.250000 La\n0.406158 0.406158 0.781526 La\n0.406158 0.781526 0.406158 La\n0.781526 0.406158 0.406158 La\n0.406158 0.406158 0.406158 La\n0.661640 0.661640 0.015080 La\n0.661640 0.015080 0.661640 La\n0.015080 0.661640 0.661640 La\n0.661640 0.661640 0.661640 La\n0.083093 0.083093 0.750721 Hg\n0.083093 0.750721 0.083093 Hg\n0.750721 0.083093 0.083093 Hg\n0.083093 0.083093 0.083093 Hg\n0.914522 0.914522 0.256434 Hg\n0.914522 0.256434 0.914522 Hg\n0.256434 0.914522 0.914522 Hg\n0.914522 0.914522 0.914522 Hg\n0.154612 0.154612 0.845388 Hg\n0.845388 0.154612 0.845388 Hg\n0.154612 0.845388 0.845388 Hg\n0.845388 0.845388 0.154612 Hg\n0.154612 0.845388 0.154612 Hg\n0.845388 0.154612 0.154612 Hg\n0.391780 0.199660 0.016780 Hg\n0.391780 0.391780 0.016780 Hg\n0.199660 0.391780 0.016780 Hg\n0.391780 0.016780 0.199660 Hg\n0.199660 0.016780 0.391780 Hg\n0.391780 0.016780 0.391780 Hg\n0.016780 0.391780 0.391780 Hg\n0.016780 0.199660 0.391780 Hg\n0.016780 0.391780 0.199660 Hg\n0.199660 0.391780 0.391780 Hg\n0.391780 0.391780 0.199660 Hg\n0.391780 0.199660 0.391780 Hg\n0.162672 0.162672 0.511984 Hg\n0.162672 0.511984 0.162672 Hg\n0.511984 0.162672 0.162672 Hg\n0.162672 0.162672 0.162672 Hg\n0.259181 0.615521 0.866117 Hg\n0.259181 0.259181 0.866117 Hg\n0.615521 0.259181 0.866117 Hg\n0.259181 0.866117 0.615521 Hg\n0.615521 0.866117 0.259181 Hg\n0.259181 0.866117 0.259181 Hg\n0.866117 0.259181 0.259181 Hg\n0.866117 0.615521 0.259181 Hg\n0.866117 0.259181 0.615521 Hg\n0.615521 0.259181 0.259181 Hg\n0.259181 0.259181 0.615521 Hg\n0.259181 0.615521 0.259181 Hg\n0.500000 0.500000 0.500000 Hg\n0.641706 0.450068 0.266519 Hg\n0.641706 0.641706 0.266519 Hg\n0.450068 0.641706 0.266519 Hg\n0.641706 0.266519 0.450068 Hg\n0.450068 0.266519 0.641706 Hg\n0.641706 0.266519 0.641706 Hg\n0.266519 0.641706 0.641706 Hg\n0.266519 0.450068 0.641706 Hg\n0.266519 0.641706 0.450068 Hg\n0.450068 0.641706 0.641706 Hg\n0.641706 0.641706 0.450068 Hg\n0.641706 0.450068 0.641706 Hg\n0.511539 0.836951 0.139971 Hg\n0.511539 0.511539 0.139971 Hg\n0.836951 0.511539 0.139971 Hg\n0.511539 0.139971 0.836951 Hg\n0.836951 0.139971 0.511539 Hg\n0.511539 0.139971 0.511539 Hg\n0.139971 0.511539 0.511539 Hg\n0.139971 0.836951 0.511539 Hg\n0.139971 0.511539 0.836951 Hg\n0.836951 0.511539 0.511539 Hg\n0.511539 0.511539 0.836951 Hg\n0.511539 0.836951 0.511539 Hg\n0.750000 0.750000 0.750000 Hg\n0.828302 0.828302 0.515095 Hg\n0.828302 0.515095 0.828302 Hg\n0.515095 0.828302 0.828302 Hg\n0.828302 0.828302 0.828302 Hg\n0.911386 0.911386 0.588614 Hg\n0.588614 0.911386 0.588614 Hg\n0.911386 0.588614 0.588614 Hg\n0.588614 0.588614 0.911386 Hg\n0.911386 0.588614 0.911386 Hg\n0.588614 0.911386 0.911386 Hg\n0.763940 0.067379 0.404742 Hg\n0.763940 0.763940 0.404742 Hg\n0.067379 0.763940 0.404742 Hg\n0.763940 0.404742 0.067379 Hg\n0.067379 0.404742 0.763940 Hg\n0.763940 0.404742 0.763940 Hg\n0.404742 0.763940 0.763940 Hg\n0.404742 0.067379 0.763940 Hg\n0.404742 0.763940 0.067379 Hg\n0.067379 0.763940 0.763940 Hg\n0.763940 0.763940 0.067379 Hg\n0.763940 0.067379 0.763940 Hg\n",
"nsites": 112,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 12.226864829722372,
"density_atomic": 0.03906753031891314,
"volume": 2866.8308205235903,
"volume_molar": 15.414695300267283,
"formula_full": "La22 Hg90",
"formula_reduced": "La11Hg45",
"formula_anonymous": "A11B45",
"energy": -174.00544946,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:59.908000Z",
"spacegroup": 216
},
{
"id": "mp-1197394",
"created_at": "2022-09-04T14:41:32.238237Z",
"structure_string": "Tb22 Cd90\n1.0\n0.000000 10.908442 10.908442\n10.908442 0.000000 10.908442\n10.908442 10.908442 0.000000\nTb Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Tb\n0.013637 0.333461 0.639266 Tb\n0.013637 0.013637 0.639266 Tb\n0.333461 0.013637 0.639266 Tb\n0.013637 0.639266 0.333461 Tb\n0.333461 0.639266 0.013637 Tb\n0.013637 0.639266 0.013637 Tb\n0.639266 0.013637 0.013637 Tb\n0.639266 0.333461 0.013637 Tb\n0.639266 0.013637 0.333461 Tb\n0.333461 0.013637 0.013637 Tb\n0.013637 0.013637 0.333461 Tb\n0.013637 0.333461 0.013637 Tb\n0.250000 0.250000 0.250000 Tb\n0.406384 0.406384 0.780848 Tb\n0.406384 0.780848 0.406384 Tb\n0.780848 0.406384 0.406384 Tb\n0.406384 0.406384 0.406384 Tb\n0.662195 0.662195 0.013415 Tb\n0.662195 0.013415 0.662195 Tb\n0.013415 0.662195 0.662195 Tb\n0.662195 0.662195 0.662195 Tb\n0.083347 0.083347 0.749960 Cd\n0.083347 0.749960 0.083347 Cd\n0.749960 0.083347 0.083347 Cd\n0.083347 0.083347 0.083347 Cd\n0.913316 0.913316 0.260053 Cd\n0.913316 0.260053 0.913316 Cd\n0.260053 0.913316 0.913316 Cd\n0.913316 0.913316 0.913316 Cd\n0.156338 0.156338 0.843662 Cd\n0.843662 0.156338 0.843662 Cd\n0.156338 0.843662 0.843662 Cd\n0.843662 0.843662 0.156338 Cd\n0.156338 0.843662 0.156338 Cd\n0.843662 0.156338 0.156338 Cd\n0.390740 0.200774 0.017746 Cd\n0.390740 0.390740 0.017746 Cd\n0.200774 0.390740 0.017746 Cd\n0.390740 0.017746 0.200774 Cd\n0.200774 0.017746 0.390740 Cd\n0.390740 0.017746 0.390740 Cd\n0.017746 0.390740 0.390740 Cd\n0.017746 0.200774 0.390740 Cd\n0.017746 0.390740 0.200774 Cd\n0.200774 0.390740 0.390740 Cd\n0.390740 0.390740 0.200774 Cd\n0.390740 0.200774 0.390740 Cd\n0.163340 0.163340 0.509981 Cd\n0.163340 0.509981 0.163340 Cd\n0.509981 0.163340 0.163340 Cd\n0.163340 0.163340 0.163340 Cd\n0.263223 0.611602 0.861953 Cd\n0.263223 0.263223 0.861953 Cd\n0.611602 0.263223 0.861953 Cd\n0.263223 0.861953 0.611602 Cd\n0.611602 0.861953 0.263223 Cd\n0.263223 0.861953 0.263223 Cd\n0.861953 0.263223 0.263223 Cd\n0.861953 0.611602 0.263223 Cd\n0.861953 0.263223 0.611602 Cd\n0.611602 0.263223 0.263223 Cd\n0.263223 0.263223 0.611602 Cd\n0.263223 0.611602 0.263223 Cd\n0.500000 0.500000 0.500000 Cd\n0.640593 0.450075 0.268739 Cd\n0.640593 0.640593 0.268739 Cd\n0.450075 0.640593 0.268739 Cd\n0.640593 0.268739 0.450075 Cd\n0.450075 0.268739 0.640593 Cd\n0.640593 0.268739 0.640593 Cd\n0.268739 0.640593 0.640593 Cd\n0.268739 0.450075 0.640593 Cd\n0.268739 0.640593 0.450075 Cd\n0.450075 0.640593 0.640593 Cd\n0.640593 0.640593 0.450075 Cd\n0.640593 0.450075 0.640593 Cd\n0.512491 0.833611 0.141406 Cd\n0.512491 0.512491 0.141406 Cd\n0.833611 0.512491 0.141406 Cd\n0.512491 0.141406 0.833611 Cd\n0.833611 0.141406 0.512491 Cd\n0.512491 0.141406 0.512491 Cd\n0.141406 0.512491 0.512491 Cd\n0.141406 0.833611 0.512491 Cd\n0.141406 0.512491 0.833611 Cd\n0.833611 0.512491 0.512491 Cd\n0.512491 0.512491 0.833611 Cd\n0.512491 0.833611 0.512491 Cd\n0.750000 0.750000 0.750000 Cd\n0.830051 0.830051 0.509847 Cd\n0.830051 0.509847 0.830051 Cd\n0.509847 0.830051 0.830051 Cd\n0.830051 0.830051 0.830051 Cd\n0.911590 0.911590 0.588410 Cd\n0.588410 0.911590 0.588410 Cd\n0.911590 0.588410 0.588410 Cd\n0.588410 0.588410 0.911590 Cd\n0.911590 0.588410 0.911590 Cd\n0.588410 0.911590 0.911590 Cd\n0.763960 0.067636 0.404444 Cd\n0.763960 0.763960 0.404444 Cd\n0.067636 0.763960 0.404444 Cd\n0.763960 0.404444 0.067636 Cd\n0.067636 0.404444 0.763960 Cd\n0.763960 0.404444 0.763960 Cd\n0.404444 0.763960 0.763960 Cd\n0.404444 0.067636 0.763960 Cd\n0.404444 0.763960 0.067636 Cd\n0.067636 0.763960 0.763960 Cd\n0.763960 0.763960 0.067636 Cd\n0.763960 0.067636 0.763960 Cd\n",
"nsites": 112,
"nelements": 2,
"elements": [
"Tb",
"Cd"
],
"chemical_system": "Cd-Tb",
"density": 8.707547621920577,
"density_atomic": 0.043141957483638,
"volume": 2596.0806262088845,
"volume_molar": 13.958895495838258,
"formula_full": "Tb22 Cd90",
"formula_reduced": "Tb11Cd45",
"formula_anonymous": "A11B45",
"energy": -211.84647213,
"energy_per_atom": -1.8914863583035715,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -211.84647213,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:22.122000Z",
"spacegroup": 216
},
{
"id": "mp-1199571",
"created_at": "2022-09-04T14:40:32.797707Z",
"structure_string": "Lu22 Cd90\n1.0\n0.000000 10.853301 10.853301\n10.853301 0.000000 10.853301\n10.853301 10.853301 0.000000\nLu Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Lu\n0.013794 0.334356 0.638056 Lu\n0.013794 0.013794 0.638056 Lu\n0.334356 0.013794 0.638056 Lu\n0.013794 0.638056 0.334356 Lu\n0.334356 0.638056 0.013794 Lu\n0.013794 0.638056 0.013794 Lu\n0.638056 0.013794 0.013794 Lu\n0.638056 0.334356 0.013794 Lu\n0.638056 0.013794 0.334356 Lu\n0.334356 0.013794 0.013794 Lu\n0.013794 0.013794 0.334356 Lu\n0.013794 0.334356 0.013794 Lu\n0.250000 0.250000 0.250000 Lu\n0.406355 0.406355 0.780936 Lu\n0.406355 0.780936 0.406355 Lu\n0.780936 0.406355 0.406355 Lu\n0.406355 0.406355 0.406355 Lu\n0.661641 0.661641 0.015077 Lu\n0.661641 0.015077 0.661641 Lu\n0.015077 0.661641 0.661641 Lu\n0.661641 0.661641 0.661641 Lu\n0.083240 0.083240 0.750279 Cd\n0.083240 0.750279 0.083240 Cd\n0.750279 0.083240 0.083240 Cd\n0.083240 0.083240 0.083240 Cd\n0.913218 0.913218 0.260346 Cd\n0.913218 0.260346 0.913218 Cd\n0.260346 0.913218 0.913218 Cd\n0.913218 0.913218 0.913218 Cd\n0.156095 0.156095 0.843905 Cd\n0.843905 0.156095 0.843905 Cd\n0.156095 0.843905 0.843905 Cd\n0.843905 0.843905 0.156095 Cd\n0.156095 0.843905 0.156095 Cd\n0.843905 0.156095 0.156095 Cd\n0.390631 0.201309 0.017430 Cd\n0.390631 0.390631 0.017430 Cd\n0.201309 0.390631 0.017430 Cd\n0.390631 0.017430 0.201309 Cd\n0.201309 0.017430 0.390631 Cd\n0.390631 0.017430 0.390631 Cd\n0.017430 0.390631 0.390631 Cd\n0.017430 0.201309 0.390631 Cd\n0.017430 0.390631 0.201309 Cd\n0.201309 0.390631 0.390631 Cd\n0.390631 0.390631 0.201309 Cd\n0.390631 0.201309 0.390631 Cd\n0.163454 0.163454 0.509638 Cd\n0.163454 0.509638 0.163454 Cd\n0.509638 0.163454 0.163454 Cd\n0.163454 0.163454 0.163454 Cd\n0.263180 0.611590 0.862050 Cd\n0.263180 0.263180 0.862050 Cd\n0.611590 0.263180 0.862050 Cd\n0.263180 0.862050 0.611590 Cd\n0.611590 0.862050 0.263180 Cd\n0.263180 0.862050 0.263180 Cd\n0.862050 0.263180 0.263180 Cd\n0.862050 0.611590 0.263180 Cd\n0.862050 0.263180 0.611590 Cd\n0.611590 0.263180 0.263180 Cd\n0.263180 0.263180 0.611590 Cd\n0.263180 0.611590 0.263180 Cd\n0.500000 0.500000 0.500000 Cd\n0.640370 0.450301 0.268960 Cd\n0.640370 0.640370 0.268960 Cd\n0.450301 0.640370 0.268960 Cd\n0.640370 0.268960 0.450301 Cd\n0.450301 0.268960 0.640370 Cd\n0.640370 0.268960 0.640370 Cd\n0.268960 0.640370 0.640370 Cd\n0.268960 0.450301 0.640370 Cd\n0.268960 0.640370 0.450301 Cd\n0.450301 0.640370 0.640370 Cd\n0.640370 0.640370 0.450301 Cd\n0.640370 0.450301 0.640370 Cd\n0.512601 0.833662 0.141135 Cd\n0.512601 0.512601 0.141135 Cd\n0.833662 0.512601 0.141135 Cd\n0.512601 0.141135 0.833662 Cd\n0.833662 0.141135 0.512601 Cd\n0.512601 0.141135 0.512601 Cd\n0.141135 0.512601 0.512601 Cd\n0.141135 0.833662 0.512601 Cd\n0.141135 0.512601 0.833662 Cd\n0.833662 0.512601 0.512601 Cd\n0.512601 0.512601 0.833662 Cd\n0.512601 0.833662 0.512601 Cd\n0.750000 0.750000 0.750000 Cd\n0.830064 0.830064 0.509808 Cd\n0.830064 0.509808 0.830064 Cd\n0.509808 0.830064 0.830064 Cd\n0.830064 0.830064 0.830064 Cd\n0.910567 0.910567 0.589433 Cd\n0.589433 0.910567 0.589433 Cd\n0.910567 0.589433 0.589433 Cd\n0.589433 0.589433 0.910567 Cd\n0.910567 0.589433 0.910567 Cd\n0.589433 0.910567 0.910567 Cd\n0.764086 0.066839 0.404988 Cd\n0.764086 0.764086 0.404988 Cd\n0.066839 0.764086 0.404988 Cd\n0.764086 0.404988 0.066839 Cd\n0.066839 0.404988 0.764086 Cd\n0.764086 0.404988 0.764086 Cd\n0.404988 0.764086 0.764086 Cd\n0.404988 0.066839 0.764086 Cd\n0.404988 0.764086 0.066839 Cd\n0.066839 0.764086 0.764086 Cd\n0.764086 0.764086 0.066839 Cd\n0.764086 0.066839 0.764086 Cd\n",
"nsites": 112,
"nelements": 2,
"elements": [
"Lu",
"Cd"
],
"chemical_system": "Cd-Lu",
"density": 9.070136142805625,
"density_atomic": 0.043802861648040446,
"volume": 2556.9105712756646,
"volume_molar": 13.748281581208989,
"formula_full": "Lu22 Cd90",
"formula_reduced": "Lu11Cd45",
"formula_anonymous": "A11B45",
"energy": -202.43895507,
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"updated_at": "2021-11-28T01:34:51.911000Z",
"spacegroup": 216
},
{
"id": "mp-1204723",
"created_at": "2022-09-04T14:46:26.164351Z",
"structure_string": "Er22 Cd90\n1.0\n0.000000 10.853179 10.853179\n10.853179 0.000000 10.853179\n10.853179 10.853179 0.000000\nEr Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Er\n0.013822 0.333985 0.638371 Er\n0.013822 0.013822 0.638371 Er\n0.333985 0.013822 0.638371 Er\n0.013822 0.638371 0.333985 Er\n0.333985 0.638371 0.013822 Er\n0.013822 0.638371 0.013822 Er\n0.638371 0.013822 0.013822 Er\n0.638371 0.333985 0.013822 Er\n0.638371 0.013822 0.333985 Er\n0.333985 0.013822 0.013822 Er\n0.013822 0.013822 0.333985 Er\n0.013822 0.333985 0.013822 Er\n0.250000 0.250000 0.250000 Er\n0.406258 0.406258 0.781227 Er\n0.406258 0.781227 0.406258 Er\n0.781227 0.406258 0.406258 Er\n0.406258 0.406258 0.406258 Er\n0.661878 0.661878 0.014365 Er\n0.661878 0.014365 0.661878 Er\n0.014365 0.661878 0.661878 Er\n0.661878 0.661878 0.661878 Er\n0.083199 0.083199 0.750402 Cd\n0.083199 0.750402 0.083199 Cd\n0.750402 0.083199 0.083199 Cd\n0.083199 0.083199 0.083199 Cd\n0.913250 0.913250 0.260251 Cd\n0.913250 0.260251 0.913250 Cd\n0.260251 0.913250 0.913250 Cd\n0.913250 0.913250 0.913250 Cd\n0.156346 0.156346 0.843654 Cd\n0.843654 0.156346 0.843654 Cd\n0.156346 0.843654 0.843654 Cd\n0.843654 0.843654 0.156346 Cd\n0.156346 0.843654 0.156346 Cd\n0.843654 0.156346 0.156346 Cd\n0.390572 0.201217 0.017640 Cd\n0.390572 0.390572 0.017640 Cd\n0.201217 0.390572 0.017640 Cd\n0.390572 0.017640 0.201217 Cd\n0.201217 0.017640 0.390572 Cd\n0.390572 0.017640 0.390572 Cd\n0.017640 0.390572 0.390572 Cd\n0.017640 0.201217 0.390572 Cd\n0.017640 0.390572 0.201217 Cd\n0.201217 0.390572 0.390572 Cd\n0.390572 0.390572 0.201217 Cd\n0.390572 0.201217 0.390572 Cd\n0.163580 0.163580 0.509260 Cd\n0.163580 0.509260 0.163580 Cd\n0.509260 0.163580 0.163580 Cd\n0.163580 0.163580 0.163580 Cd\n0.263232 0.611909 0.861628 Cd\n0.263232 0.263232 0.861628 Cd\n0.611909 0.263232 0.861628 Cd\n0.263232 0.861628 0.611909 Cd\n0.611909 0.861628 0.263232 Cd\n0.263232 0.861628 0.263232 Cd\n0.861628 0.263232 0.263232 Cd\n0.861628 0.611909 0.263232 Cd\n0.861628 0.263232 0.611909 Cd\n0.611909 0.263232 0.263232 Cd\n0.263232 0.263232 0.611909 Cd\n0.263232 0.611909 0.263232 Cd\n0.500000 0.500000 0.500000 Cd\n0.640431 0.450440 0.268698 Cd\n0.640431 0.640431 0.268698 Cd\n0.450440 0.640431 0.268698 Cd\n0.640431 0.268698 0.450440 Cd\n0.450440 0.268698 0.640431 Cd\n0.640431 0.268698 0.640431 Cd\n0.268698 0.640431 0.640431 Cd\n0.268698 0.450440 0.640431 Cd\n0.268698 0.640431 0.450440 Cd\n0.450440 0.640431 0.640431 Cd\n0.640431 0.640431 0.450440 Cd\n0.640431 0.450440 0.640431 Cd\n0.512390 0.833779 0.141440 Cd\n0.512390 0.512390 0.141440 Cd\n0.833779 0.512390 0.141440 Cd\n0.512390 0.141440 0.833779 Cd\n0.833779 0.141440 0.512390 Cd\n0.512390 0.141440 0.512390 Cd\n0.141440 0.512390 0.512390 Cd\n0.141440 0.833779 0.512390 Cd\n0.141440 0.512390 0.833779 Cd\n0.833779 0.512390 0.512390 Cd\n0.512390 0.512390 0.833779 Cd\n0.512390 0.833779 0.512390 Cd\n0.750000 0.750000 0.750000 Cd\n0.830048 0.830048 0.509855 Cd\n0.830048 0.509855 0.830048 Cd\n0.509855 0.830048 0.830048 Cd\n0.830048 0.830048 0.830048 Cd\n0.910882 0.910882 0.589118 Cd\n0.589118 0.910882 0.589118 Cd\n0.910882 0.589118 0.589118 Cd\n0.589118 0.589118 0.910882 Cd\n0.910882 0.589118 0.910882 Cd\n0.589118 0.910882 0.910882 Cd\n0.763880 0.067368 0.404871 Cd\n0.763880 0.763880 0.404871 Cd\n0.067368 0.763880 0.404871 Cd\n0.763880 0.404871 0.067368 Cd\n0.067368 0.404871 0.763880 Cd\n0.763880 0.404871 0.763880 Cd\n0.404871 0.763880 0.763880 Cd\n0.404871 0.067368 0.763880 Cd\n0.404871 0.763880 0.067368 Cd\n0.067368 0.763880 0.763880 Cd\n0.763880 0.763880 0.067368 Cd\n0.763880 0.067368 0.763880 Cd\n",
"nsites": 112,
"nelements": 2,
"elements": [
"Er",
"Cd"
],
"chemical_system": "Cd-Er",
"density": 8.960310254076296,
"density_atomic": 0.04380433882146373,
"volume": 2556.824346932524,
"volume_molar": 13.747817960556013,
"formula_full": "Er22 Cd90",
"formula_reduced": "Er11Cd45",
"formula_anonymous": "A11B45",
"energy": -207.06552344,
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"updated_at": "2021-11-28T01:37:41.151000Z",
"spacegroup": 216
},
{
"id": "mp-1204969",
"created_at": "2022-09-04T14:47:02.830868Z",
"structure_string": "Sm22 Hg90\n1.0\n0.000000 11.101028 11.101028\n11.101028 0.000000 11.101028\n11.101028 11.101028 0.000000\nSm Hg\n22 90\ndirect\n0.000000 0.000000 0.000000 Sm\n0.015560 0.330804 0.638076 Sm\n0.015560 0.015560 0.638076 Sm\n0.330804 0.015560 0.638076 Sm\n0.015560 0.638076 0.330804 Sm\n0.330804 0.638076 0.015560 Sm\n0.015560 0.638076 0.015560 Sm\n0.638076 0.015560 0.015560 Sm\n0.638076 0.330804 0.015560 Sm\n0.638076 0.015560 0.330804 Sm\n0.330804 0.015560 0.015560 Sm\n0.015560 0.015560 0.330804 Sm\n0.015560 0.330804 0.015560 Sm\n0.250000 0.250000 0.250000 Sm\n0.405694 0.405694 0.782917 Sm\n0.405694 0.782917 0.405694 Sm\n0.782917 0.405694 0.405694 Sm\n0.405694 0.405694 0.405694 Sm\n0.662446 0.662446 0.012661 Sm\n0.662446 0.012661 0.662446 Sm\n0.012661 0.662446 0.662446 Sm\n0.662446 0.662446 0.662446 Sm\n0.083020 0.083020 0.750941 Hg\n0.083020 0.750941 0.083020 Hg\n0.750941 0.083020 0.083020 Hg\n0.083020 0.083020 0.083020 Hg\n0.914710 0.914710 0.255871 Hg\n0.914710 0.255871 0.914710 Hg\n0.255871 0.914710 0.914710 Hg\n0.914710 0.914710 0.914710 Hg\n0.152502 0.152502 0.847498 Hg\n0.847498 0.152502 0.847498 Hg\n0.152502 0.847498 0.847498 Hg\n0.847498 0.847498 0.152502 Hg\n0.152502 0.847498 0.152502 Hg\n0.847498 0.152502 0.152502 Hg\n0.392137 0.199523 0.016203 Hg\n0.392137 0.392137 0.016203 Hg\n0.199523 0.392137 0.016203 Hg\n0.392137 0.016203 0.199523 Hg\n0.199523 0.016203 0.392137 Hg\n0.392137 0.016203 0.392137 Hg\n0.016203 0.392137 0.392137 Hg\n0.016203 0.199523 0.392137 Hg\n0.016203 0.392137 0.199523 Hg\n0.199523 0.392137 0.392137 Hg\n0.392137 0.392137 0.199523 Hg\n0.392137 0.199523 0.392137 Hg\n0.161792 0.161792 0.514623 Hg\n0.161792 0.514623 0.161792 Hg\n0.514623 0.161792 0.161792 Hg\n0.161792 0.161792 0.161792 Hg\n0.258607 0.611488 0.871298 Hg\n0.258607 0.258607 0.871298 Hg\n0.611488 0.258607 0.871298 Hg\n0.258607 0.871298 0.611488 Hg\n0.611488 0.871298 0.258607 Hg\n0.258607 0.871298 0.258607 Hg\n0.871298 0.258607 0.258607 Hg\n0.871298 0.611488 0.258607 Hg\n0.871298 0.258607 0.611488 Hg\n0.611488 0.258607 0.258607 Hg\n0.258607 0.258607 0.611488 Hg\n0.258607 0.611488 0.258607 Hg\n0.500000 0.500000 0.500000 Hg\n0.643157 0.448032 0.265655 Hg\n0.643157 0.643157 0.265655 Hg\n0.448032 0.643157 0.265655 Hg\n0.643157 0.265655 0.448032 Hg\n0.448032 0.265655 0.643157 Hg\n0.643157 0.265655 0.643157 Hg\n0.265655 0.643157 0.643157 Hg\n0.265655 0.448032 0.643157 Hg\n0.265655 0.643157 0.448032 Hg\n0.448032 0.643157 0.643157 Hg\n0.643157 0.643157 0.448032 Hg\n0.643157 0.448032 0.643157 Hg\n0.512861 0.836336 0.137942 Hg\n0.512861 0.512861 0.137942 Hg\n0.836336 0.512861 0.137942 Hg\n0.512861 0.137942 0.836336 Hg\n0.836336 0.137942 0.512861 Hg\n0.512861 0.137942 0.512861 Hg\n0.137942 0.512861 0.512861 Hg\n0.137942 0.836336 0.512861 Hg\n0.137942 0.512861 0.836336 Hg\n0.836336 0.512861 0.512861 Hg\n0.512861 0.512861 0.836336 Hg\n0.512861 0.836336 0.512861 Hg\n0.750000 0.750000 0.750000 Hg\n0.827112 0.827112 0.518665 Hg\n0.827112 0.518665 0.827112 Hg\n0.518665 0.827112 0.827112 Hg\n0.827112 0.827112 0.827112 Hg\n0.911851 0.911851 0.588149 Hg\n0.588149 0.911851 0.588149 Hg\n0.911851 0.588149 0.588149 Hg\n0.588149 0.588149 0.911851 Hg\n0.911851 0.588149 0.911851 Hg\n0.588149 0.911851 0.911851 Hg\n0.766159 0.063563 0.404119 Hg\n0.766159 0.766159 0.404119 Hg\n0.063563 0.766159 0.404119 Hg\n0.766159 0.404119 0.063563 Hg\n0.063563 0.404119 0.766159 Hg\n0.766159 0.404119 0.766159 Hg\n0.404119 0.766159 0.766159 Hg\n0.404119 0.063563 0.766159 Hg\n0.404119 0.766159 0.063563 Hg\n0.063563 0.766159 0.766159 Hg\n0.766159 0.766159 0.063563 Hg\n0.766159 0.063563 0.766159 Hg\n",
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"elements": [
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],
"chemical_system": "Hg-Sm",
"density": 12.964372299582736,
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"volume": 2736.022029663987,
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"formula_full": "Sm22 Hg90",
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"updated_at": "2021-11-28T01:37:52.185000Z",
"spacegroup": 216
},
{
"id": "mp-1201594",
"created_at": "2022-09-04T14:46:18.658317Z",
"structure_string": "Nd22 Hg90\n1.0\n0.000000 11.196020 11.196020\n11.196020 0.000000 11.196020\n11.196020 11.196020 0.000000\nNd Hg\n22 90\ndirect\n0.000000 0.000000 0.000000 Nd\n0.015736 0.329761 0.638766 Nd\n0.015736 0.015736 0.638766 Nd\n0.329761 0.015736 0.638766 Nd\n0.015736 0.638766 0.329761 Nd\n0.329761 0.638766 0.015736 Nd\n0.015736 0.638766 0.015736 Nd\n0.638766 0.015736 0.015736 Nd\n0.638766 0.329761 0.015736 Nd\n0.638766 0.015736 0.329761 Nd\n0.329761 0.015736 0.015736 Nd\n0.015736 0.015736 0.329761 Nd\n0.015736 0.329761 0.015736 Nd\n0.250000 0.250000 0.250000 Nd\n0.405814 0.405814 0.782559 Nd\n0.405814 0.782559 0.405814 Nd\n0.782559 0.405814 0.405814 Nd\n0.405814 0.405814 0.405814 Nd\n0.661809 0.661809 0.014572 Nd\n0.661809 0.014572 0.661809 Nd\n0.014572 0.661809 0.661809 Nd\n0.661809 0.661809 0.661809 Nd\n0.082950 0.082950 0.751151 Hg\n0.082950 0.751151 0.082950 Hg\n0.751151 0.082950 0.082950 Hg\n0.082950 0.082950 0.082950 Hg\n0.914579 0.914579 0.256262 Hg\n0.914579 0.256262 0.914579 Hg\n0.256262 0.914579 0.914579 Hg\n0.914579 0.914579 0.914579 Hg\n0.153508 0.153508 0.846492 Hg\n0.846492 0.153508 0.846492 Hg\n0.153508 0.846492 0.846492 Hg\n0.846492 0.846492 0.153508 Hg\n0.153508 0.846492 0.153508 Hg\n0.846492 0.153508 0.153508 Hg\n0.391869 0.199655 0.016608 Hg\n0.391869 0.391869 0.016608 Hg\n0.199655 0.391869 0.016608 Hg\n0.391869 0.016608 0.199655 Hg\n0.199655 0.016608 0.391869 Hg\n0.391869 0.016608 0.391869 Hg\n0.016608 0.391869 0.391869 Hg\n0.016608 0.199655 0.391869 Hg\n0.016608 0.391869 0.199655 Hg\n0.199655 0.391869 0.391869 Hg\n0.391869 0.391869 0.199655 Hg\n0.391869 0.199655 0.391869 Hg\n0.162217 0.162217 0.513350 Hg\n0.162217 0.513350 0.162217 Hg\n0.513350 0.162217 0.162217 Hg\n0.162217 0.162217 0.162217 Hg\n0.258537 0.614266 0.868659 Hg\n0.258537 0.258537 0.868659 Hg\n0.614266 0.258537 0.868659 Hg\n0.258537 0.868659 0.614266 Hg\n0.614266 0.868659 0.258537 Hg\n0.258537 0.868659 0.258537 Hg\n0.868659 0.258537 0.258537 Hg\n0.868659 0.614266 0.258537 Hg\n0.868659 0.258537 0.614266 Hg\n0.614266 0.258537 0.258537 Hg\n0.258537 0.258537 0.614266 Hg\n0.258537 0.614266 0.258537 Hg\n0.500000 0.500000 0.500000 Hg\n0.642099 0.449522 0.266280 Hg\n0.642099 0.642099 0.266280 Hg\n0.449522 0.642099 0.266280 Hg\n0.642099 0.266280 0.449522 Hg\n0.449522 0.266280 0.642099 Hg\n0.642099 0.266280 0.642099 Hg\n0.266280 0.642099 0.642099 Hg\n0.266280 0.449522 0.642099 Hg\n0.266280 0.642099 0.449522 Hg\n0.449522 0.642099 0.642099 Hg\n0.642099 0.642099 0.449522 Hg\n0.642099 0.449522 0.642099 Hg\n0.511832 0.837208 0.139128 Hg\n0.511832 0.511832 0.139128 Hg\n0.837208 0.511832 0.139128 Hg\n0.511832 0.139128 0.837208 Hg\n0.837208 0.139128 0.511832 Hg\n0.511832 0.139128 0.511832 Hg\n0.139128 0.511832 0.511832 Hg\n0.139128 0.837208 0.511832 Hg\n0.139128 0.511832 0.837208 Hg\n0.837208 0.511832 0.511832 Hg\n0.511832 0.511832 0.837208 Hg\n0.511832 0.837208 0.511832 Hg\n0.750000 0.750000 0.750000 Hg\n0.827894 0.827894 0.516317 Hg\n0.827894 0.516317 0.827894 Hg\n0.516317 0.827894 0.827894 Hg\n0.827894 0.827894 0.827894 Hg\n0.911412 0.911412 0.588588 Hg\n0.588588 0.911412 0.588588 Hg\n0.911412 0.588588 0.588588 Hg\n0.588588 0.588588 0.911412 Hg\n0.911412 0.588588 0.911412 Hg\n0.588588 0.911412 0.911412 Hg\n0.764849 0.065844 0.404457 Hg\n0.764849 0.764849 0.404457 Hg\n0.065844 0.764849 0.404457 Hg\n0.764849 0.404457 0.065844 Hg\n0.065844 0.404457 0.764849 Hg\n0.764849 0.404457 0.764849 Hg\n0.404457 0.764849 0.764849 Hg\n0.404457 0.065844 0.764849 Hg\n0.404457 0.764849 0.065844 Hg\n0.065844 0.764849 0.764849 Hg\n0.764849 0.764849 0.065844 Hg\n0.764849 0.065844 0.764849 Hg\n",
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"elements": [
"Nd",
"Hg"
],
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"density": 12.557550694456063,
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"volume": 2806.8615571487912,
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"formula_full": "Nd22 Hg90",
"formula_reduced": "Nd11Hg45",
"formula_anonymous": "A11B45",
"energy": -163.47320192,
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"updated_at": "2021-11-28T01:37:31.031000Z",
"spacegroup": 216
}
]
}