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  1. Third-Parties
  2. MatprojStructure
  3. mp-541193

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-541193
  • 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: 48
  • Number of elements: 3
  • Element list: ['Hg', 'Cl', 'O']
  • Chemical System: Cl-Hg-O
  • Density: 8.56874985878238
  • Atomic Density: 0.040657433277322526
  • Unit Cell Volume: 1180.595923815312
  • Molar Volume: 14.811905903954262
  • Full Formula: Hg28 Cl8 O12
  • Reduced Formula: Hg7Cl2O3
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -112.14494245
  • Final energy per atom: -2.3363529677083332
  • 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.