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  1. Third-Parties
  2. MatprojStructure
  3. mp-20352

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-20352
  • 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: 11
  • Number of elements: 3
  • Element list: ['Ba', 'In', 'O']
  • Chemical System: Ba-In-O
  • Density: 6.1472814851308835
  • Atomic Density: 0.05520747568896201
  • Unit Cell Volume: 199.24837828075704
  • Molar Volume: 10.908198001894963
  • Full Formula: Ba3 In2 O6
  • Reduced Formula: Ba3In2O6
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -68.48390968
  • Final energy per atom: -6.225809970909091
  • 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.