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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-693284
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 80
Number of elements: 5
Element list: ['Ca', 'Hf', 'Fe', 'Si', 'O']
Chemical System: Ca-Fe-Hf-O-Si
Density: 5.246841269061534
Atomic Density: 0.0781159654014307
Unit Cell Volume: 1024.1184319861813
Molar Volume: 7.7092316904140885
Full Formula: Ca12 Hf8 Fe8 Si4 O48
Reduced Formula: Ca3Hf2Fe2SiO12
Formula Anonymous: AB2C2D3E12
Spacegroup Number: 142
Spacegroup Symbol: I4_1/acd
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -687.29689258
Final energy per atom: -8.59121115725
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.