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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191037

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-1191037
  • 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: 22
  • Number of elements: 4
  • Element list: ['Ag', 'As', 'Se', 'F']
  • Chemical System: Ag-As-F-Se
  • Density: 4.291903451511375
  • Atomic Density: 0.053275643136957374
  • Unit Cell Volume: 412.94668078325975
  • Molar Volume: 11.303741082052625
  • Full Formula: Ag2 As2 Se6 F12
  • Reduced Formula: AgAs(SeF2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -95.04568913
  • Final energy per atom: -4.3202585968181815
  • 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.