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  1. Third-Parties
  2. MatprojStructure
  3. mp-684013

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-684013
  • 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: 38
  • Number of elements: 3
  • Element list: ['Ba', 'In', 'Ir']
  • Chemical System: Ba-In-Ir
  • Density: 9.03800607676051
  • Atomic Density: 0.04077567591477539
  • Unit Cell Volume: 931.9281445983436
  • Molar Volume: 14.76895385520226
  • Full Formula: Ba4 In26 Ir8
  • Reduced Formula: Ba2In13Ir4
  • Formula Anonymous: A2B4C13
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -161.47348828
  • Final energy per atom: -4.249302323157894
  • 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.