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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1728051
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['B', 'H', 'Na', 'Tl']
  • Chemical System: B-H-Na-Tl
  • Density: 4.247501453979857
  • Atomic Density: 0.09572228916945985
  • Unit Cell Volume: 104.46887644210764
  • Molar Volume: 6.291262789734202
  • Full Formula: Na2 Tl1 B1 H6
  • Reduced Formula: Na2TlBH6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m