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  1. Third-Parties
  2. MatprojStructure
  3. mp-18474

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-18474
  • 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: 30
  • Number of elements: 3
  • Element list: ['Ag', 'Ge', 'Se']
  • Chemical System: Ag-Ge-Se
  • Density: 6.720650356049567
  • Atomic Density: 0.04307605862273361
  • Unit Cell Volume: 696.4425474193071
  • Molar Volume: 13.980250172706805
  • Full Formula: Ag16 Ge2 Se12
  • Reduced Formula: Ag8GeSe6
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -106.6590533
  • Final energy per atom: -3.5553017766666666
  • 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.