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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98790
  • 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: 38
  • Number of elements: 4
  • Element list: ['Ca', 'Zr', 'Si', 'O']
  • Chemical System: Ca-O-Si-Zr
  • Density: 3.0608308092374887
  • Atomic Density: 0.07362022910801048
  • Unit Cell Volume: 516.162479530579
  • Molar Volume: 8.180008175694121
  • Full Formula: Ca4 Zr2 Si8 O24
  • Reduced Formula: Ca2Zr(SiO3)4
  • Formula Anonymous: AB2C4D12
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m