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  1. Third-Parties
  2. MatprojStructure
  3. mp-622268

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-622268
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Ba', 'Zn', 'Ag', 'Se', 'O']
  • Chemical System: Ag-Ba-O-Se-Zn
  • Density: 6.488903884781094
  • Atomic Density: 0.04716176073909703
  • Unit Cell Volume: 381.66513967910504
  • Molar Volume: 12.769117746292398
  • Full Formula: Ba4 Zn2 Ag4 Se4 O4
  • Reduced Formula: Ba2ZnAg2(SeO)2
  • Formula Anonymous: AB2C2D2E2
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -85.1411116
  • Final energy per atom: -4.730061755555556
  • 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.