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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-52224
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 50
  • Number of elements: 3
  • Element list: ['I', 'Nb', 'Te']
  • Chemical System: I-Nb-Te
  • Density: 5.456081784080726
  • Atomic Density: 0.026945959135374495
  • Unit Cell Volume: 1855.565791842989
  • Molar Volume: 22.34895677583868
  • Full Formula: Nb8 Te34 I8
  • Reduced Formula: Nb4Te17I4
  • Formula Anonymous: A4B4C17
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m