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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179941

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-1179941
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Na', 'Hg', 'Cl', 'O']
  • Chemical System: Cl-Hg-Na-O
  • Density: 3.50045139475761
  • Atomic Density: 0.04076987020273075
  • Unit Cell Volume: 686.7816811966346
  • Molar Volume: 14.771056984127068
  • Full Formula: Na4 Hg4 Cl12 O8
  • Reduced Formula: NaHgCl3O2
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -81.20776355
  • Final energy per atom: -2.900277269642857
  • 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.