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  1. Third-Parties
  2. MatprojStructure
  3. mp-27426

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-27426
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['B', 'P', 'F']
  • Chemical System: B-F-P
  • Density: 1.7680112280706994
  • Atomic Density: 0.0607907477523118
  • Unit Cell Volume: 921.1928142119355
  • Molar Volume: 9.906344275508578
  • Full Formula: B16 P4 F36
  • Reduced Formula: B4PF9
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -337.31022048
  • Final energy per atom: -6.0233967942857145
  • 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.