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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20082
  • 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: 3
  • Number of elements: 2
  • Element list: ['Ta', 'B']
  • Chemical System: B-Ta
  • Density: 12.070491999351459
  • Atomic Density: 0.10765203872510833
  • Unit Cell Volume: 27.86756326706047
  • Molar Volume: 5.594079621081454
  • Full Formula: Ta1 B2
  • Reduced Formula: TaB2
  • Formula Anonymous: AB2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm