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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-26566
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Mg', 'B', 'O', 'F']
  • Chemical System: B-F-Mg-O
  • Density: 2.9602535636365643
  • Atomic Density: 0.09446332886191722
  • Unit Cell Volume: 211.72237143193644
  • Molar Volume: 6.37510961402062
  • Full Formula: Mg6 B2 O6 F6
  • Reduced Formula: Mg3B(OF)3
  • Formula Anonymous: AB3C3D3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m