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  1. Third-Parties
  2. MatprojStructure
  3. mp-649756

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-649756
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Ag', 'As', 'S', 'N', 'O', 'F']
  • Chemical System: Ag-As-F-N-O-S
  • Density: 2.607000566421502
  • Atomic Density: 0.054399993401114725
  • Unit Cell Volume: 1470.58841368096
  • Molar Volume: 11.070113034014817
  • Full Formula: Ag4 As4 S24 N16 O8 F24
  • Reduced Formula: AgAsS6N4(OF3)2
  • Formula Anonymous: ABC2D4E6F6
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -427.59416631
  • Final energy per atom: -5.344927078875
  • 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.