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  1. Third-Parties
  2. MatprojStructure
  3. mp-634466

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-634466
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Hg', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Hg-O
  • Density: 2.732887089777677
  • Atomic Density: 0.09402939112208565
  • Unit Cell Volume: 308.4142059619109
  • Molar Volume: 6.404530209262961
  • Full Formula: Hg1 H12 Cl2 O14
  • Reduced Formula: HgH12(ClO7)2
  • Formula Anonymous: AB2C12D14
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -141.20959193
  • Final energy per atom: -4.869296273448276
  • 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.