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  1. Third-Parties
  2. MatprojStructure
  3. mp-674503

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-674503
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Hg', 'Sb', 'F']
  • Chemical System: F-Hg-Sb
  • Density: 6.042302912826505
  • Atomic Density: 0.05141666627021823
  • Unit Cell Volume: 350.0810399764489
  • Molar Volume: 11.712429445252011
  • Full Formula: Hg4 Sb2 F12
  • Reduced Formula: Hg2SbF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -68.8239143
  • Final energy per atom: -3.8235507944444445
  • 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.