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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204343

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-1204343
  • 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: 68
  • Number of elements: 3
  • Element list: ['Ba', 'Ge', 'O']
  • Chemical System: Ba-Ge-O
  • Density: 4.918081952025904
  • Atomic Density: 0.0710285134434638
  • Unit Cell Volume: 957.3620044030009
  • Molar Volume: 8.478483454103841
  • Full Formula: Ba6 Ge18 O44
  • Reduced Formula: Ba3Ge9O22
  • Formula Anonymous: A3B9C22
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -467.78628454
  • Final energy per atom: -6.879210066764706
  • 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.