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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-1147659
Created at: Sept. 4, 2022, 2:48 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 7
Number of elements: 4
Element list: ['K', 'Cu', 'I', 'F']
Chemical System: Cu-F-I-K
Density: 3.417154303551918
Atomic Density: 0.03322584222689738
Unit Cell Volume: 210.67938480527894
Molar Volume: 18.124870150394216
Full Formula: K2 Cu1 I2 F2
Reduced Formula: K2Cu(IF)2
Formula Anonymous: AB2C2D2
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -24.88612357
Final energy per atom: -3.55516051
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.