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  1. Third-Parties
  2. MatprojStructure
  3. mp-558446

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-558446
  • 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: 16
  • Number of elements: 4
  • Element list: ['Ag', 'Hg', 'S', 'I']
  • Chemical System: Ag-Hg-I-S
  • Density: 6.2880241129071415
  • Atomic Density: 0.032404899199302506
  • Unit Cell Volume: 493.75250024985075
  • Molar Volume: 18.58404410691585
  • Full Formula: Ag4 Hg4 S4 I4
  • Reduced Formula: AgHgSI
  • Formula Anonymous: ABCD
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -42.06194614
  • Final energy per atom: -2.62887163375
  • 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.