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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-29456
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: 12
Number of elements: 3
Element list: ['Rb', 'I', 'N']
Chemical System: I-N-Rb
Density: 3.356799267368845
Atomic Density: 0.035688414499667864
Unit Cell Volume: 336.2435728298235
Molar Volume: 16.874217710220908
Full Formula: Rb4 I2 N6
Reduced Formula: Rb2IN3
Formula Anonymous: AB2C3
Spacegroup Number: 127
Spacegroup Symbol: P4/mbm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -66.95294701
Final energy per atom: -5.579412250833333
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.