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  1. Third-Parties
  2. MatprojStructure
  3. mp-998365

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-998365
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ni', 'Ag', 'F']
  • Chemical System: Ag-F-Ni
  • Density: 5.783220649807447
  • Atomic Density: 0.07789377758975388
  • Unit Cell Volume: 64.1899796712093
  • Molar Volume: 7.731221859231219
  • Full Formula: Ni1 Ag1 F3
  • Reduced Formula: NiAgF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -23.51461391
  • Final energy per atom: -4.702922782
  • 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.