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  1. Third-Parties
  2. MatprojStructure
  3. mp-558105

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-558105
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Li', 'B', 'O', 'F']
  • Chemical System: B-F-Li-O
  • Density: 2.086963707739641
  • Atomic Density: 0.0909948099298699
  • Unit Cell Volume: 747.2953683007624
  • Molar Volume: 6.618114554710638
  • Full Formula: Li4 B24 O36 F4
  • Reduced Formula: LiB6O9F
  • Formula Anonymous: ABC6D9
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -548.6488183900001
  • Final energy per atom: -8.068364976323531
  • 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.