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  1. Third-Parties
  2. MatprojStructure
  3. mp-8986

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-8986
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Ba', 'Gd', 'C', 'O', 'F']
  • Chemical System: Ba-C-F-Gd-O
  • Density: 4.930810692582254
  • Atomic Density: 0.06827145543852625
  • Unit Cell Volume: 820.2549607342727
  • Molar Volume: 8.8208764868394
  • Full Formula: Ba8 Gd4 C8 O24 F12
  • Reduced Formula: Ba2GdC2(O2F)3
  • Formula Anonymous: AB2C2D3E6
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -465.82777764
  • Final energy per atom: -8.318353172142858
  • 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.