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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-75617
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Nb', 'Fe', 'As']
  • Chemical System: As-Fe-Nb
  • Density: 8.418674361210002
  • Atomic Density: 0.06405779837741792
  • Unit Cell Volume: 62.443607200370266
  • Molar Volume: 9.401104803069483
  • Full Formula: Nb2 Fe1 As1
  • Reduced Formula: Nb2FeAs
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m