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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-1205063
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 32
Number of elements: 3
Element list: ['Ge', 'Ir', 'Se']
Chemical System: Ge-Ir-Se
Density: 8.310705090487494
Atomic Density: 0.04770849216028886
Unit Cell Volume: 670.7401251015822
Molar Volume: 12.62278577106793
Full Formula: Ge12 Ir8 Se12
Reduced Formula: Ge3Ir2Se3
Formula Anonymous: A2B3C3
Spacegroup Number: 200
Spacegroup Symbol: Pm-3
Crystal System: cubic
Pointgroup: m-3

Thermodynamics:

Final energy: -177.99557288
Final energy per atom: -5.5623616525
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.