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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62948
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ta', 'Ni', 'B']
  • Chemical System: B-Ni-Ta
  • Density: 12.364067592363806
  • Atomic Density: 0.08918843394011063
  • Unit Cell Volume: 67.27329693925286
  • Molar Volume: 6.7521543926242975
  • Full Formula: Ta2 Ni2 B2
  • Reduced Formula: TaNiB
  • Formula Anonymous: ABC
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm