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  1. Third-Parties
  2. MatprojStructure
  3. mp-554710

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-554710
  • 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: 24
  • Number of elements: 6
  • Element list: ['Ag', 'As', 'C', 'S', 'N', 'F']
  • Chemical System: Ag-As-C-F-N-S
  • Density: 2.1519157007257377
  • Atomic Density: 0.04731268961635163
  • Unit Cell Volume: 507.2634888147516
  • Molar Volume: 12.728383883546334
  • Full Formula: Ag1 As1 C4 S8 N4 F6
  • Reduced Formula: AgAsC4S8(N2F3)2
  • Formula Anonymous: ABC4D4E6F8
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -140.45977176
  • Final energy per atom: -5.85249049
  • 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.