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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193213

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-1193213
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['Cs', 'Hg', 'H', 'I', 'Br', 'O']
  • Chemical System: Br-Cs-H-Hg-I-O
  • Density: 4.479886901470064
  • Atomic Density: 0.025932587161509018
  • Unit Cell Volume: 1002.5995415756682
  • Molar Volume: 23.222290635692868
  • Full Formula: Cs4 Hg4 H4 I8 Br4 O2
  • Reduced Formula: Cs2Hg2H2I4Br2O
  • Formula Anonymous: AB2C2D2E2F4
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -77.54859243
  • Final energy per atom: -2.9826381703846154
  • 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.