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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-505660
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 32
Number of elements: 5
Element list: ['Cs', 'K', 'Fe', 'C', 'N']
Chemical System: C-Cs-Fe-K-N
Density: 2.3909295729753404
Atomic Density: 0.04457238969364722
Unit Cell Volume: 717.9332366952017
Molar Volume: 13.510921898940317
Full Formula: Cs4 K2 Fe2 C12 N12
Reduced Formula: Cs2KFe(CN)6
Formula Anonymous: ABC2D6E6
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -242.21139064
Final energy per atom: -7.5691059575
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.