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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215013

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-1215013
  • 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: 38
  • Number of elements: 4
  • Element list: ['Be', 'Co', 'N', 'F']
  • Chemical System: Be-Co-F-N
  • Density: 2.084287777073172
  • Atomic Density: 0.0642907429274913
  • Unit Cell Volume: 591.0648760562208
  • Molar Volume: 9.367041794480304
  • Full Formula: Be4 Co2 N4 F28
  • Reduced Formula: Be2Co(NF7)2
  • Formula Anonymous: AB2C2D14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -183.52839114
  • Final energy per atom: -4.829694503684211
  • 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.