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  1. Third-Parties
  2. MatprojStructure
  3. mp-24619

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-24619
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['Fe', 'H', 'N', 'O', 'F']
  • Chemical System: F-Fe-H-N-O
  • Density: 1.9557703881874215
  • Atomic Density: 0.10919895723580926
  • Unit Cell Volume: 695.977341943679
  • Molar Volume: 5.514833577573009
  • Full Formula: Fe4 H40 N8 O4 F20
  • Reduced Formula: FeH10N2OF5
  • Formula Anonymous: ABC2D5E10
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -404.1421486100001
  • Final energy per atom: -5.31765985013158
  • 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.