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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238685

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-1238685
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Ga', 'Hg', 'As', 'S', 'Cl']
  • Chemical System: As-Cl-Ga-Hg-S
  • Density: 5.023931766975481
  • Atomic Density: 0.03287525853742149
  • Unit Cell Volume: 608.3602347106793
  • Molar Volume: 18.31815483107174
  • Full Formula: Ga2 Hg6 As2 S2 Cl8
  • Reduced Formula: GaHg3AsSCl4
  • Formula Anonymous: ABCD3E4
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -59.56165782
  • Final energy per atom: -2.978082891
  • 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.