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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105793

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-1105793
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Mg', 'B', 'As', 'Ir']
  • Chemical System: As-B-Ir-Mg
  • Density: 13.652361889497707
  • Atomic Density: 0.07432071619398112
  • Unit Cell Volume: 269.10397294610175
  • Molar Volume: 8.102910020783282
  • Full Formula: Mg4 B4 As2 Ir10
  • Reduced Formula: Mg2B2AsIr5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -139.40896743
  • Final energy per atom: -6.9704483715
  • 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.