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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202126

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-1202126
  • 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: 38
  • Number of elements: 4
  • Element list: ['Hg', 'N', 'Cl', 'O']
  • Chemical System: Cl-Hg-N-O
  • Density: 2.7313198513640526
  • Atomic Density: 0.029925481058056556
  • Unit Cell Volume: 1269.8208568904397
  • Molar Volume: 20.123789316258012
  • Full Formula: Hg6 N8 Cl20 O4
  • Reduced Formula: Hg3N4(Cl5O)2
  • Formula Anonymous: A2B3C4D10
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -111.91817202
  • Final energy per atom: -2.9452150531578947
  • 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.