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  1. Third-Parties
  2. MatprojStructure
  3. mp-559765

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-559765
  • 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: 20
  • Number of elements: 5
  • Element list: ['K', 'Hg', 'S', 'Cl', 'O']
  • Chemical System: Cl-Hg-K-O-S
  • Density: 4.270651906201277
  • Atomic Density: 0.041037891185652715
  • Unit Cell Volume: 487.3544770982826
  • Molar Volume: 14.674586305510271
  • Full Formula: K2 Hg4 S2 Cl6 O6
  • Reduced Formula: KHg2S(ClO)3
  • Formula Anonymous: ABC2D3E3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -81.98780755
  • Final energy per atom: -4.0993903775
  • 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.