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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229209

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-1229209
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ag', 'Hg', 'Ge', 'Se']
  • Chemical System: Ag-Ge-Hg-Se
  • Density: 6.4824326826422105
  • Atomic Density: 0.039200546761051905
  • Unit Cell Volume: 714.2757515775183
  • Molar Volume: 15.36238970519503
  • Full Formula: Ag12 Hg2 Ge2 Se12
  • Reduced Formula: Ag6HgGeSe6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -95.28578632
  • Final energy per atom: -3.403063797142857
  • 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.