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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212847

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-1212847
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Fe', 'H', 'F']
  • Chemical System: F-Fe-H
  • Density: 0.3948677880210702
  • Atomic Density: 0.010900122804500178
  • Unit Cell Volume: 2568.7783983901577
  • Molar Volume: 55.248375344117456
  • Full Formula: Fe8 H12 F8
  • Reduced Formula: Fe2H3F2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -114.1974902
  • Final energy per atom: -4.078481792857143
  • 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.