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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1207093
  • Created at: Sept. 4, 2022, 3:38 p.m.
  • Last updated at: Sept. 4, 2022, 3:38 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ac', 'B', 'Te']
  • Chemical System: Ac-B-Te
  • Density: 7.594334130908032
  • Atomic Density: 0.045387209302695374
  • Unit Cell Volume: 110.16319524415151
  • Molar Volume: 13.26836536663286
  • Full Formula: Ac1 B2 Te2
  • Reduced Formula: Ac(BTe)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm