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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199150

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-1199150
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Ce', 'B', 'O', 'F']
  • Chemical System: B-Ce-F-O
  • Density: 4.199016078868783
  • Atomic Density: 0.08265975486381368
  • Unit Cell Volume: 774.258284523628
  • Molar Volume: 7.285456834370966
  • Full Formula: Ce8 B16 O32 F8
  • Reduced Formula: CeB2O4F
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -540.79188655
  • Final energy per atom: -8.44987322734375
  • 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.