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  1. Third-Parties
  2. MatprojStructure
  3. mp-568836

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-568836
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Ba', 'Ge', 'I']
  • Chemical System: Ba-Ge-I
  • Density: 4.4919289210374895
  • Atomic Density: 0.0219799009686018
  • Unit Cell Volume: 1091.9066484550547
  • Molar Volume: 27.398398057400733
  • Full Formula: Ba12 Ge4 I8
  • Reduced Formula: Ba3GeI2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -85.99162084999999
  • Final energy per atom: -3.582984202083333
  • 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.