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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23378
  • 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: 24
  • Number of elements: 3
  • Element list: ['Li', 'Ca', 'Si']
  • Chemical System: Ca-Li-Si
  • Density: 2.2051952001120836
  • Atomic Density: 0.046500348938097964
  • Unit Cell Volume: 516.1251592315833
  • Molar Volume: 12.950743161125034
  • Full Formula: Li4 Ca8 Si12
  • Reduced Formula: LiCa2Si3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm