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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-23615
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 58
Number of elements: 4
Element list: ['Si', 'Bi', 'Ir', 'I']
Chemical System: Bi-I-Ir-Si
Density: 6.72317160610642
Atomic Density: 0.02499801739320619
Unit Cell Volume: 2320.1840005024915
Molar Volume: 24.090473517458474
Full Formula: Si4 Bi28 Ir2 I24
Reduced Formula: Si2Bi14IrI12
Formula Anonymous: AB2C12D14
Spacegroup Number: 124
Spacegroup Symbol: P4/mcc
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -201.16968176
Final energy per atom: -3.4684427889655174
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.