crystal-lab-data / dft /5426 /competitors.json
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data: 5832 structures, 12 DFT jobs (part 2)
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{
"formula": "Cs2Hg3O4",
"nsites": 18,
"decomposition": [
{
"id": "agm003194531",
"formula": "Cs2HgO2",
"frac": 0.5556,
"nsites": 5
},
{
"id": "agm003263607",
"formula": "HgO",
"frac": 0.4444,
"nsites": 8
}
]
}