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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225010

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-1225010
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Fe', 'Hg', 'O', 'F']
  • Chemical System: F-Fe-Hg-O
  • Density: 5.745616620676242
  • Atomic Density: 0.06343339676261095
  • Unit Cell Volume: 173.41023122513351
  • Molar Volume: 9.493643833290012
  • Full Formula: Fe1 Hg2 O3 F5
  • Reduced Formula: FeHg2O3F5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -47.266803370000005
  • Final energy per atom: -4.296982124545455
  • 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.