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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-1219408
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: 24
Number of elements: 3
Element list: ['Sc', 'Ir', 'C']
Chemical System: C-Ir-Sc
Density: 15.218267229232955
Atomic Density: 0.06969148366584306
Unit Cell Volume: 344.37493274035137
Molar Volume: 8.641142996574702
Full Formula: Sc5 Ir15 C4
Reduced Formula: Sc5Ir15C4
Formula Anonymous: A4B5C15
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -210.35587779
Final energy per atom: -8.76482824125
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.