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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106123
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Be', 'Si']
  • Chemical System: Be-Ca-Si
  • Density: 2.2437874701049885
  • Atomic Density: 0.05252588756585059
  • Unit Cell Volume: 57.114694087538524
  • Molar Volume: 11.465090908649893
  • Full Formula: Ca1 Be1 Si1
  • Reduced Formula: CaBeSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2