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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-770572
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 62
Number of elements: 5
Element list: ['Li', 'Fe', 'H', 'S', 'O']
Chemical System: Fe-H-Li-O-S
Density: 1.9963680268812551
Atomic Density: 0.10074357424015477
Unit Cell Volume: 615.4238666597536
Molar Volume: 5.977692180787915
Full Formula: Li4 Fe2 H24 S4 O28
Reduced Formula: Li2FeH12(SO7)2
Formula Anonymous: AB2C2D12E14
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -358.2312202
Final energy per atom: -5.777922906451613
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.