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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192890

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-1192890
  • 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: 30
  • Number of elements: 4
  • Element list: ['Al', 'C', 'N', 'F']
  • Chemical System: Al-C-F-N
  • Density: 2.3824504454046957
  • Atomic Density: 0.07605433880560254
  • Unit Cell Volume: 394.454813113043
  • Molar Volume: 7.918208026754128
  • Full Formula: Al5 C2 N6 F17
  • Reduced Formula: Al5C2N6F17
  • Formula Anonymous: A2B5C6D17
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -181.17136212
  • Final energy per atom: -6.039045404
  • 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.