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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225982

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-1225982
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cs', 'Ga', 'Hg', 'Se']
  • Chemical System: Cs-Ga-Hg-Se
  • Density: 5.86426082720137
  • Atomic Density: 0.034818442875714145
  • Unit Cell Volume: 631.8490484634796
  • Molar Volume: 17.295835949632437
  • Full Formula: Cs1 Ga5 Hg4 Se12
  • Reduced Formula: CsGa5(HgSe3)4
  • Formula Anonymous: AB4C5D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -76.82232640000001
  • Final energy per atom: -3.491923927272728
  • 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.