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  1. Third-Parties
  2. MatprojStructure
  3. mp-30944

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-30944
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Ce', 'Ga', 'Br']
  • Chemical System: Br-Ce-Ga
  • Density: 6.376306382452089
  • Atomic Density: 0.03951672724526636
  • Unit Cell Volume: 556.7262659038988
  • Molar Volume: 15.239472445738487
  • Full Formula: Ce8 Ga10 Br4
  • Reduced Formula: Ce4Ga5Br2
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -105.84422608
  • Final energy per atom: -4.811101185454546
  • 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.