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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-300398
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Be', 'H']
  • Chemical System: Be-H
  • Density: 1.1849674390601932
  • Atomic Density: 0.23715651481291775
  • Unit Cell Volume: 16.866498494276755
  • Molar Volume: 2.539310701521567
  • Full Formula: Be1 H3
  • Reduced Formula: BeH3
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm