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  1. Third-Parties
  2. MatprojStructure
  3. mp-556903

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-556903
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['Hg', 'Sb', 'C', 'O', 'F']
  • Chemical System: C-F-Hg-O-Sb
  • Density: 3.714917710354782
  • Atomic Density: 0.05970346771341638
  • Unit Cell Volume: 1038.4656431952537
  • Molar Volume: 10.086752060880249
  • Full Formula: Hg2 Sb8 C4 O4 F44
  • Reduced Formula: HgSb4C2(OF11)2
  • Formula Anonymous: AB2C2D4E22
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -318.56330753000003
  • Final energy per atom: -5.138117863387097
  • 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.