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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223967

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-1223967
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Hg', 'I', 'Br']
  • Chemical System: Br-Hg-I
  • Density: 5.209795120586864
  • Atomic Density: 0.021843267937723898
  • Unit Cell Volume: 274.68417349941683
  • Molar Volume: 27.569779289295834
  • Full Formula: Hg2 I3 Br1
  • Reduced Formula: Hg2I3Br
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -10.50770279
  • Final energy per atom: -1.7512837983333334
  • 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.