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  1. Third-Parties
  2. MatprojStructure
  3. mp-669455

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-669455
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 4
  • Element list: ['Ga', 'Hg', 'As', 'Br']
  • Chemical System: As-Br-Ga-Hg
  • Density: 5.408250915415627
  • Atomic Density: 0.02805253109646781
  • Unit Cell Volume: 1247.6592532645643
  • Molar Volume: 21.467370410501992
  • Full Formula: Ga4 Hg11 As4 Br16
  • Reduced Formula: Ga4Hg11(AsBr4)4
  • Formula Anonymous: A4B4C11D16
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -87.76678427
  • Final energy per atom: -2.507622407714286
  • 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.