crystal-lab-data / dft /42 /competitors.json
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data: 5815 structures, 10 DFT jobs (part 2)
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{
"formula": "LaNd2(GeRh)4",
"nsites": 22,
"decomposition": [
{
"id": "agm002152330",
"formula": "Nd3(GeRh)4",
"frac": 0.6667,
"nsites": 11
},
{
"id": "agm002214642",
"formula": "La3(GeRh)4",
"frac": 0.3333,
"nsites": 11
}
]
}