crystal-lab-data / dft /1856 /beta_check.json
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{
"beta_minus_alpha_meV_atom": 7.6,
"e_hull_vs_alpha": -0.024,
"e_hull_vs_lowest_Ca2CdP2": -0.024,
"beta": {
"energy_eV": -20444.396790078288,
"natoms": 25,
"e_per_atom": -817.7758716031316,
"vol_per_atom": 23.577043566758658,
"vol_change_pct": 1.8458678591912303,
"hours": 12.91
},
"status": "pass"
}