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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91331
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Fe', 'B', 'O']
  • Chemical System: B-Fe-O
  • Density: 5.41944625436309
  • Atomic Density: 0.11896326705718047
  • Unit Cell Volume: 336.2382438671068
  • Molar Volume: 5.06218508365731
  • Full Formula: Fe12 B4 O24
  • Reduced Formula: Fe3BO6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm