Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9792
  • 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: 16
  • Number of elements: 4
  • Element list: ['Ca', 'Ti', 'Si', 'O']
  • Chemical System: Ca-O-Si-Ti
  • Density: 3.4699656828899017
  • Atomic Density: 0.08528036844607594
  • Unit Cell Volume: 187.61645020468035
  • Molar Volume: 7.0615792001507245
  • Full Formula: Ca2 Ti2 Si2 O10
  • Reduced Formula: CaTiSiO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m