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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31319
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Nb', 'Ni', 'As']
  • Chemical System: As-Nb-Ni
  • Density: 7.860863090636291
  • Atomic Density: 0.06281682067137181
  • Unit Cell Volume: 254.70884755063466
  • Molar Volume: 9.586828329795644
  • Full Formula: Nb4 Ni4 As8
  • Reduced Formula: NbNiAs2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm