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  1. Third-Parties
  2. MatprojStructure
  3. mp-572292

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-572292
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Fe', 'Co', 'P', 'O', 'F']
  • Chemical System: Co-F-Fe-O-P
  • Density: 4.068068951653687
  • Atomic Density: 0.08567852175919961
  • Unit Cell Volume: 373.48917024894916
  • Molar Volume: 7.0287636111711755
  • Full Formula: Fe4 Co4 P4 O16 F4
  • Reduced Formula: FeCoPO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -243.37265587
  • Final energy per atom: -7.6053954959375
  • 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.