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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10711
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'Cu']
  • Chemical System: Al-Ca-Cu
  • Density: 3.1082960414634258
  • Atomic Density: 0.05149583189255524
  • Unit Cell Volume: 233.02856870120476
  • Molar Volume: 11.694423681833213
  • Full Formula: Ca3 Al7 Cu2
  • Reduced Formula: Ca3Al7Cu2
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m