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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-70459
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Be', 'Si']
  • Chemical System: Be-Si-Zr
  • Density: 4.061718581932057
  • Atomic Density: 0.07124314520519243
  • Unit Cell Volume: 56.14575252790029
  • Molar Volume: 8.452940619978534
  • Full Formula: Zr1 Be2 Si1
  • Reduced Formula: ZrBe2Si
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2