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  1. Third-Parties
  2. MatprojStructure
  3. mp-677563

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-677563
  • 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: 75
  • Number of elements: 5
  • Element list: ['Zn', 'Cu', 'Hg', 'As', 'S']
  • Chemical System: As-Cu-Hg-S-Zn
  • Density: 4.661870366378382
  • Atomic Density: 0.03813329918165775
  • Unit Cell Volume: 1966.784978208108
  • Molar Volume: 15.792341311230345
  • Full Formula: Zn3 Cu3 Hg12 As21 S36
  • Reduced Formula: ZnCuHg4As7S12
  • Formula Anonymous: ABC4D7E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -289.21732844
  • Final energy per atom: -3.856231045866667
  • 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.