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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228627

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-1228627
  • 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: 48
  • Number of elements: 4
  • Element list: ['Ba', 'Co', 'O', 'F']
  • Chemical System: Ba-Co-F-O
  • Density: 5.616799395023376
  • Atomic Density: 0.06718608097477749
  • Unit Cell Volume: 714.4336937589768
  • Molar Volume: 8.963375557298525
  • Full Formula: Ba10 Co10 O26 F2
  • Reduced Formula: Ba5Co5O13F
  • Formula Anonymous: AB5C5D13
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -324.65799025
  • Final energy per atom: -6.763708130208333
  • 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.