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  1. Third-Parties
  2. MatprojStructure
  3. mp-27274

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-27274
  • 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: 40
  • Number of elements: 3
  • Element list: ['As', 'C', 'F']
  • Chemical System: As-C-F
  • Density: 2.56775635979426
  • Atomic Density: 0.05371936985634487
  • Unit Cell Volume: 744.6103725149252
  • Molar Volume: 11.210371186602286
  • Full Formula: As8 C8 F24
  • Reduced Formula: AsCF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -216.54198955
  • Final energy per atom: -5.4135497387500005
  • 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.