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  1. Third-Parties
  2. MatprojStructure
  3. mp-1102974

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-1102974
  • 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: 12
  • Number of elements: 3
  • Element list: ['Hg', 'O', 'F']
  • Chemical System: F-Hg-O
  • Density: 8.692360092473576
  • Atomic Density: 0.06665873443431179
  • Unit Cell Volume: 180.02141957593395
  • Molar Volume: 9.034286070844114
  • Full Formula: Hg4 O4 F4
  • Reduced Formula: HgOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -39.59515402
  • Final energy per atom: -3.2995961683333337
  • 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.