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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196457

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-1196457
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Li', 'B', 'O', 'F']
  • Chemical System: B-F-Li-O
  • Density: 2.0380134739317324
  • Atomic Density: 0.08802843605001574
  • Unit Cell Volume: 545.2783458827724
  • Molar Volume: 6.841131150595879
  • Full Formula: Li8 B12 O16 F12
  • Reduced Formula: Li2B3O4F3
  • Formula Anonymous: A2B3C3D4
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -341.69305312
  • Final energy per atom: -7.118605273333333
  • 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.