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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-24294
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Hg', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Hg-O
  • Density: 4.84594102755766
  • Atomic Density: 0.06785635730001344
  • Unit Cell Volume: 412.63635588635486
  • Molar Volume: 8.874836492289585
  • Full Formula: Hg4 H4 Cl4 O16
  • Reduced Formula: HgHClO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -120.51486262
  • Final energy per atom: -4.304102236428571
  • 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.