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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197801

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-1197801
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Ag', 'P', 'N', 'O', 'F']
  • Chemical System: Ag-F-N-O-P
  • Density: 4.116528621080972
  • Atomic Density: 0.06504790302115482
  • Unit Cell Volume: 860.9040014985223
  • Molar Volume: 9.258009067627416
  • Full Formula: Ag12 P8 N4 O24 F8
  • Reduced Formula: Ag3P2N(O3F)2
  • Formula Anonymous: AB2C2D3E6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -321.6018002
  • Final energy per atom: -5.742889289285714
  • 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.