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  1. Third-Parties
  2. MatprojStructure
  3. mp-558550

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-558550
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Ag', 'Mo', 'Se', 'O']
  • Chemical System: Ag-Mo-O-Se
  • Density: 4.923147149080397
  • Atomic Density: 0.06640223282449365
  • Unit Cell Volume: 1505.9734552045547
  • Molar Volume: 9.069184128065384
  • Full Formula: Ag16 Mo8 Se12 O64
  • Reduced Formula: Ag4Mo2Se3O16
  • Formula Anonymous: A2B3C4D16
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -613.59531049
  • Final energy per atom: -6.1359531049
  • 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.