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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229256

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-1229256
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 55
  • Number of elements: 3
  • Element list: ['Ag', 'Te', 'As']
  • Chemical System: Ag-As-Te
  • Density: 7.113380380907173
  • Atomic Density: 0.03782708409342563
  • Unit Cell Volume: 1453.984659884451
  • Molar Volume: 15.920182335827073
  • Full Formula: Ag32 Te20 As3
  • Reduced Formula: Ag32Te20As3
  • Formula Anonymous: A3B20C32
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -162.56367041
  • Final energy per atom: -2.955703098363636
  • 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.