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  1. Third-Parties
  2. MatprojStructure
  3. mp-21978

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-21978
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'Co', 'F']
  • Chemical System: Al-Co-F-Na
  • Density: 3.2019360512976247
  • Atomic Density: 0.08007593164274814
  • Unit Cell Volume: 1098.956929937505
  • Molar Volume: 7.520537865069447
  • Full Formula: Na16 Al8 Co8 F56
  • Reduced Formula: Na2AlCoF7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -493.60888599
  • Final energy per atom: -5.60919188625
  • 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.