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  1. Third-Parties
  2. MatprojStructure
  3. mp-561205

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-561205
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Ag', 'C', 'O', 'F']
  • Chemical System: Ag-C-F-O
  • Density: 2.8564705628286124
  • Atomic Density: 0.0752505119655165
  • Unit Cell Volume: 797.3367679876378
  • Molar Volume: 8.00279041657503
  • Full Formula: Ag4 C16 O4 F36
  • Reduced Formula: AgC4OF9
  • Formula Anonymous: ABC4D9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -346.09516762
  • Final energy per atom: -5.768252793666666
  • 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.