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"structure_string": "Mg30 Cd1 Ni1 O32\n1.0\n8.554899 0.000000 0.000000\n0.000000 8.554899 0.000000\n0.000000 0.000000 8.555550\nMg Cd Ni O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.247095 0.247095 0.000000 Mg\n0.247095 0.752905 0.000000 Mg\n0.752905 0.247095 0.000000 Mg\n0.752905 0.752905 0.000000 Mg\n0.249750 0.249750 0.500000 Mg\n0.249750 0.750250 0.500000 Mg\n0.750250 0.249750 0.500000 Mg\n0.750250 0.750250 0.500000 Mg\n0.000000 0.249319 0.249506 Mg\n0.000000 0.750681 0.249506 Mg\n0.500000 0.247565 0.252101 Mg\n0.500000 0.752435 0.252101 Mg\n0.000000 0.249319 0.750494 Mg\n0.000000 0.750681 0.750494 Mg\n0.500000 0.247565 0.747899 Mg\n0.500000 0.752435 0.747899 Mg\n0.249319 0.000000 0.249506 Mg\n0.247565 0.500000 0.252101 Mg\n0.750681 0.000000 0.249506 Mg\n0.752435 0.500000 0.252101 Mg\n0.249319 0.000000 0.750494 Mg\n0.247565 0.500000 0.747899 Mg\n0.750681 0.000000 0.750494 Mg\n0.752435 0.500000 0.747899 Mg\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.251279 O\n0.000000 0.500000 0.251686 O\n0.500000 0.000000 0.251686 O\n0.500000 0.500000 0.263936 O\n0.000000 0.000000 0.748721 O\n0.000000 0.500000 0.748314 O\n0.500000 0.000000 0.748314 O\n0.500000 0.500000 0.736064 O\n0.250158 0.250158 0.249282 O\n0.250158 0.749842 0.249282 O\n0.749842 0.250158 0.249282 O\n0.749842 0.749842 0.249282 O\n0.250158 0.250158 0.750718 O\n0.250158 0.749842 0.750718 O\n0.749842 0.250158 0.750718 O\n0.749842 0.749842 0.750718 O\n0.000000 0.249040 0.000000 O\n0.000000 0.750960 0.000000 O\n0.500000 0.235911 0.000000 O\n0.500000 0.764089 0.000000 O\n0.000000 0.249327 0.500000 O\n0.000000 0.750673 0.500000 O\n0.500000 0.248058 0.500000 O\n0.500000 0.751942 0.500000 O\n0.249040 0.000000 0.000000 O\n0.235911 0.500000 0.000000 O\n0.750960 0.000000 0.000000 O\n0.764089 0.500000 0.000000 O\n0.249327 0.000000 0.500000 O\n0.248058 0.500000 0.500000 O\n0.750673 0.000000 0.500000 O\n0.751942 0.500000 0.500000 O\n",
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"nelements": 4,
"elements": [
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"chemical_system": "Cd-Mg-Ni-O",
"density": 3.7452293891195345,
"density_atomic": 0.10221208962387425,
"volume": 626.1490224445148,
"volume_molar": 5.89180867171448,
"formula_full": "Mg30 Cd1 Ni1 O32",
"formula_reduced": "Mg30CdNiO32",
"formula_anonymous": "ABC30D32",
"energy": -400.65808302,
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"updated_at": "2021-11-28T01:37:41.610000Z",
"spacegroup": 123
},
{
"id": "mp-1037934",
"created_at": "2022-09-04T14:46:40.071474Z",
"structure_string": "Ca1 Mg30 Cd1 O32\n1.0\n8.608080 0.000000 0.000000\n0.000000 8.608080 0.000000\n0.000000 0.000000 8.605791\nCa Mg Cd O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250681 0.250681 0.000000 Mg\n0.749319 0.250681 0.000000 Mg\n0.250681 0.749319 0.000000 Mg\n0.749319 0.749319 0.000000 Mg\n0.250108 0.250108 0.500000 Mg\n0.749892 0.250108 0.500000 Mg\n0.250108 0.749892 0.500000 Mg\n0.749892 0.749892 0.500000 Mg\n0.252883 0.000000 0.252843 Mg\n0.747117 0.000000 0.252843 Mg\n0.247922 0.500000 0.252350 Mg\n0.752078 0.500000 0.252350 Mg\n0.252883 0.000000 0.747157 Mg\n0.747117 0.000000 0.747157 Mg\n0.247922 0.500000 0.747650 Mg\n0.752078 0.500000 0.747650 Mg\n0.000000 0.252883 0.252843 Mg\n0.500000 0.247922 0.252350 Mg\n0.000000 0.747117 0.252843 Mg\n0.500000 0.752078 0.252350 Mg\n0.000000 0.252883 0.747157 Mg\n0.500000 0.247922 0.747650 Mg\n0.000000 0.747117 0.747157 Mg\n0.500000 0.752078 0.747650 Mg\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.262359 O\n0.500000 0.000000 0.253709 O\n0.000000 0.500000 0.253709 O\n0.500000 0.500000 0.264191 O\n0.000000 0.000000 0.737641 O\n0.500000 0.000000 0.746291 O\n0.000000 0.500000 0.746291 O\n0.500000 0.500000 0.735809 O\n0.250219 0.250219 0.249375 O\n0.749781 0.250219 0.249375 O\n0.250219 0.749781 0.249375 O\n0.749781 0.749781 0.249375 O\n0.250219 0.250219 0.750625 O\n0.749781 0.250219 0.750625 O\n0.250219 0.749781 0.750625 O\n0.749781 0.749781 0.750625 O\n0.260800 0.000000 0.000000 O\n0.739200 0.000000 0.000000 O\n0.237765 0.500000 0.000000 O\n0.762235 0.500000 0.000000 O\n0.251598 0.000000 0.500000 O\n0.748402 0.000000 0.500000 O\n0.248515 0.500000 0.500000 O\n0.751485 0.500000 0.500000 O\n0.000000 0.260800 0.000000 O\n0.500000 0.237765 0.000000 O\n0.000000 0.739200 0.000000 O\n0.500000 0.762235 0.000000 O\n0.000000 0.251598 0.500000 O\n0.500000 0.248515 0.500000 O\n0.000000 0.748402 0.500000 O\n0.500000 0.751485 0.500000 O\n",
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"nelements": 4,
"elements": [
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"Cd",
"O"
],
"chemical_system": "Ca-Cd-Mg-O",
"density": 3.6290255166376224,
"density_atomic": 0.10036368307798582,
"volume": 637.6808626111293,
"volume_molar": 6.000318616566315,
"formula_full": "Ca1 Mg30 Cd1 O32",
"formula_reduced": "CaMg30CdO32",
"formula_anonymous": "ABC30D32",
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"updated_at": "2021-11-28T01:37:46.440000Z",
"spacegroup": 123
}
]
}