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  1. Third-Parties
  2. MatprojStructure
  3. mp-772533

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-772533
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Fe', 'P', 'O', 'F']
  • Chemical System: F-Fe-O-P
  • Density: 2.5644481688935294
  • Atomic Density: 0.06366011508106843
  • Unit Cell Volume: 879.6716739937777
  • Molar Volume: 9.459833291741715
  • Full Formula: Fe8 P8 O32 F8
  • Reduced Formula: FePO4F
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -391.07902023
  • Final energy per atom: -6.983553932678572
  • 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.