crystal-lab-data / dft /3914 /competitors.json
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data: 5907 structures, 14 DFT jobs
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{
"formula": "Cs3RbAs4",
"nsites": 8,
"decomposition": [
{
"id": "agm003219892",
"formula": "RbAs",
"frac": 0.25,
"nsites": 16
},
{
"id": "agm004468642",
"formula": "CsAs",
"frac": 0.75,
"nsites": 16
}
]
}