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  1. Third-Parties
  2. MatprojStructure
  3. mp-690687

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-690687
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'I', 'O', 'F']
  • Chemical System: Ag-F-H-I-O
  • Density: 5.04416628656165
  • Atomic Density: 0.05600795619145704
  • Unit Cell Volume: 249.96448633373691
  • Molar Volume: 10.752295155020427
  • Full Formula: Ag4 H4 I2 O2 F2
  • Reduced Formula: Ag2H2IOF
  • Formula Anonymous: ABCD2E2
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -56.37681547
  • Final energy per atom: -4.026915390714286
  • 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.