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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100775
  • 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: 10
  • Number of elements: 3
  • Element list: ['Nb', 'B', 'Mo']
  • Chemical System: B-Mo-Nb
  • Density: 8.095827006888948
  • Atomic Density: 0.08035310818365897
  • Unit Cell Volume: 124.45069302289482
  • Molar Volume: 7.494595910634225
  • Full Formula: Nb4 B4 Mo2
  • Reduced Formula: Nb2B2Mo
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm