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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-728689
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 62
Number of elements: 5
Element list: ['Cs', 'Ni', 'H', 'S', 'O']
Chemical System: Cs-H-Ni-O-S
Density: 2.3974126204453143
Atomic Density: 0.0716422391019382
Unit Cell Volume: 865.4112542711225
Molar Volume: 8.405852239530404
Full Formula: Cs4 Ni2 H24 S4 O28
Reduced Formula: Cs2NiH12(SO7)2
Formula Anonymous: AB2C2D12E14
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -331.74364089
Final energy per atom: -5.350703885322581
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.