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  1. Third-Parties
  2. MatprojStructure
  3. mp-30429

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-30429
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 2
  • Element list: ['Ba', 'Ga']
  • Chemical System: Ba-Ga
  • Density: 4.702519133153712
  • Atomic Density: 0.026772208984151807
  • Unit Cell Volume: 2241.1299730820815
  • Molar Volume: 22.494000265592174
  • Full Formula: Ba32 Ga28
  • Reduced Formula: Ba8Ga7
  • Formula Anonymous: A7B8
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -168.46229939
  • Final energy per atom: -2.8077049898333333
  • 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.