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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-69533
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Ta', 'Be']
  • Chemical System: Be-Ca-Ta
  • Density: 3.389267772055661
  • Atomic Density: 0.03496250455231158
  • Unit Cell Volume: 171.61241955714826
  • Molar Volume: 17.224569112288727
  • Full Formula: Ca4 Ta1 Be1
  • Reduced Formula: Ca4TaBe
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m