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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91579
  • 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: 8
  • Number of elements: 4
  • Element list: ['Nb', 'Ni', 'H', 'C']
  • Chemical System: C-H-Nb-Ni
  • Density: 6.935479247032683
  • Atomic Density: 0.11325574081533124
  • Unit Cell Volume: 70.63659592359537
  • Molar Volume: 5.317294043239168
  • Full Formula: Nb1 Ni3 H2 C2
  • Reduced Formula: NbNi3(HC)2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm