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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214936

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-1214936
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Be', 'Co', 'N', 'F']
  • Chemical System: Be-Co-F-N
  • Density: 2.7315283805983954
  • Atomic Density: 0.07796096845427848
  • Unit Cell Volume: 974.8467920145383
  • Molar Volume: 7.724558685455254
  • Full Formula: Be12 Co8 N8 F48
  • Reduced Formula: Be3Co2(NF6)2
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -410.44736215
  • Final energy per atom: -5.400623186184211
  • 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.