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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90425
  • 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: 8
  • Number of elements: 4
  • Element list: ['Sc', 'Al', 'C', 'O']
  • Chemical System: Al-C-O-Sc
  • Density: 3.53057010911865
  • Atomic Density: 0.08509099038394492
  • Unit Cell Volume: 94.0170041963626
  • Molar Volume: 7.077295413800079
  • Full Formula: Sc2 Al2 C2 O2
  • Reduced Formula: ScAlCO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm