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{
"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,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.84647213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5053458,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.122000Z",
"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,
"nelements": 2,
"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",
"formula_anonymous": "A11B45",
"energy": -252.41765841,
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"updated_at": "2021-11-28T01:35:22.987000Z",
"spacegroup": 216
},
{
"id": "mp-1195608",
"created_at": "2022-09-04T14:46:55.769407Z",
"structure_string": "C200 Cl44\n1.0\n-7.420930 -11.592904 2.477862\n-7.420930 11.592904 2.477862\n-0.070916 0.000000 -20.842814\nC Cl\n200 44\ndirect\n0.317225 0.717958 0.652867 C\n0.717958 0.317225 0.152867 C\n0.389865 0.747123 0.610741 C\n0.747123 0.389865 0.110741 C\n0.453420 0.857834 0.614917 C\n0.857834 0.453420 0.114917 C\n0.428766 0.934112 0.653911 C\n0.934112 0.428766 0.153911 C\n0.357445 0.905276 0.696694 C\n0.905276 0.357445 0.196694 C\n0.308608 0.800702 0.701350 C\n0.800702 0.308608 0.201350 C\n0.294913 0.785143 0.766656 C\n0.785143 0.294913 0.266656 C\n0.279931 0.686534 0.782770 C\n0.686534 0.279931 0.282770 C\n0.245650 0.588605 0.724369 C\n0.588605 0.245650 0.224369 C\n0.287475 0.616489 0.664978 C\n0.616489 0.287475 0.164978 C\n0.329657 0.545606 0.639849 C\n0.545606 0.329657 0.139849 C\n0.399351 0.572523 0.600290 C\n0.572523 0.399351 0.100290 C\n0.428421 0.672030 0.585593 C\n0.672030 0.428421 0.085593 C\n0.534835 0.707116 0.576404 C\n0.707116 0.534835 0.076404 C\n0.599230 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{
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{
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{
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{
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}