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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120540
  • 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: 24
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-O-Si
  • Density: 3.0170721489481123
  • Atomic Density: 0.0795151342497283
  • Unit Cell Volume: 301.82933383001875
  • Molar Volume: 7.573578057589178
  • Full Formula: Ca4 Al4 Si2 O14
  • Reduced Formula: Ca2Al2SiO7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2