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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108949
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Ni']
  • Chemical System: Ca-Ni-Si
  • Density: 3.0977406282691633
  • Atomic Density: 0.05016908143044495
  • Unit Cell Volume: 119.59557219157931
  • Molar Volume: 12.00368950017387
  • Full Formula: Ca2 Si3 Ni1
  • Reduced Formula: Ca2Si3Ni
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2