crystal-lab-data / dft /475 /competitors.json
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data: 5907 structures, 14 DFT jobs (part 2)
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{
"formula": "Li4Zn2HgPd",
"nsites": 8,
"decomposition": [
{
"id": "agm003173037",
"formula": "LiZn",
"frac": 0.125,
"nsites": 4
},
{
"id": "agm003200982",
"formula": "Li2Hg",
"frac": 0.375,
"nsites": 6
},
{
"id": "agm009744993",
"formula": "Li3Zn3Pd2",
"frac": 0.5,
"nsites": 8
}
]
}