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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-686764
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 18
Number of elements: 3
Element list: ['Ca', 'Fe', 'Pb']
Chemical System: Ca-Fe-Pb
Density: 5.455962553488147
Atomic Density: 0.03368619050365304
Unit Cell Volume: 534.3435909752995
Molar Volume: 17.87717955031733
Full Formula: Ca10 Fe2 Pb6
Reduced Formula: Ca5FePb3
Formula Anonymous: AB3C5
Spacegroup Number: 193
Spacegroup Symbol: P6_3/mcm
Crystal System: hexagonal
Pointgroup: 6/mmm

Thermodynamics:

Final energy: -63.6891458
Final energy per atom: -3.5382858777777777
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.