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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-756239
  • Created at: Sept. 4, 2022, 3:25 p.m.
  • Last updated at: Sept. 4, 2022, 3:25 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['As', 'Zr']
  • Chemical System: As-Zr
  • Density: 6.2449249653060175
  • Atomic Density: 0.04464511127888303
  • Unit Cell Volume: 313.5841663053923
  • Molar Volume: 13.488914211416581
  • Full Formula: Zr8 As6
  • Reduced Formula: Zr4As3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m