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  1. Third-Parties
  2. MatprojStructure
  3. mp-561099

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-561099
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Ba', 'Os', 'Cl', 'O']
  • Chemical System: Ba-Cl-O-Os
  • Density: 7.832324438985816
  • Atomic Density: 0.06791286122962453
  • Unit Cell Volume: 427.0177912537986
  • Molar Volume: 8.867452572257491
  • Full Formula: Ba4 Os6 Cl1 O18
  • Reduced Formula: Ba4Os6ClO18
  • Formula Anonymous: AB4C6D18
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -226.58781203
  • Final energy per atom: -7.81337282862069
  • 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.