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  1. Third-Parties
  2. MatprojStructure
  3. mp-1112212

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-1112212
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['K', 'Hg', 'As', 'Cl']
  • Chemical System: As-Cl-Hg-K
  • Density: 3.091622467527971
  • Atomic Density: 0.03286957009168364
  • Unit Cell Volume: 304.2327591175313
  • Molar Volume: 18.32132499208947
  • Full Formula: K2 Hg1 As1 Cl6
  • Reduced Formula: K2HgAsCl6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -32.7804507
  • Final energy per atom: -3.27804507
  • 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.