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  1. Third-Parties
  2. MatprojStructure
  3. mp-570390

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-570390
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ba', 'Al', 'Ge']
  • Chemical System: Al-Ba-Ge
  • Density: 5.002728724870542
  • Atomic Density: 0.03376729763802775
  • Unit Cell Volume: 829.2046435029853
  • Molar Volume: 17.834239578644986
  • Full Formula: Ba10 Al4 Ge14
  • Reduced Formula: Ba5Al2Ge7
  • Formula Anonymous: A2B5C7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -113.65969615
  • Final energy per atom: -4.0592748625
  • 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.