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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205460

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-1205460
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Zn', 'Hg', 'Se', 'Br']
  • Chemical System: Br-Hg-Se-Zn
  • Density: 5.63328908396618
  • Atomic Density: 0.028699089111162795
  • Unit Cell Volume: 627.1976065260803
  • Molar Volume: 20.983734837973056
  • Full Formula: Zn2 Hg6 Se6 Br4
  • Reduced Formula: ZnHg3Se3Br2
  • Formula Anonymous: AB2C3D3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -41.82711727
  • Final energy per atom: -2.3237287372222224
  • 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.