crystal-lab-data / dft /4665 /competitors.json
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data: 5404 structures, 9 DFT jobs
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{
"formula": "KTlAgCl3",
"nsites": 24,
"decomposition": [
{
"id": "agm005586599",
"formula": "TlAgCl2",
"frac": 0.4444,
"nsites": 16
},
{
"id": "agm014073652",
"formula": "K3TlCl4",
"frac": 0.4444,
"nsites": 16
},
{
"id": "agm073555318",
"formula": "AgCl",
"frac": 0.1111,
"nsites": 4
}
]
}