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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180943

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-1180943
  • 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: 32
  • Number of elements: 4
  • Element list: ['K', 'Hg', 'Cl', 'O']
  • Chemical System: Cl-Hg-K-O
  • Density: 3.4417385143793906
  • Atomic Density: 0.03797843105074903
  • Unit Cell Volume: 842.5835168714501
  • Molar Volume: 15.856739189549087
  • Full Formula: K8 Hg4 Cl16 O4
  • Reduced Formula: K2HgCl4O
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -91.53204101
  • Final energy per atom: -2.8603762815625
  • 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.