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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16230
  • 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: ['Nb', 'Ni', 'B']
  • Chemical System: B-Nb-Ni
  • Density: 7.901964048058213
  • Atomic Density: 0.08790070424077316
  • Unit Cell Volume: 68.25883878660521
  • Molar Volume: 6.851072254784737
  • Full Formula: Nb2 Ni2 B2
  • Reduced Formula: NbNiB
  • Formula Anonymous: ABC
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm