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-22976
  • 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: 32
  • Number of elements: 4
  • Element list: ['Ca', 'Ti', 'Ge', 'O']
  • Chemical System: Ca-Ge-O-Ti
  • Density: 4.037551027853174
  • Atomic Density: 0.08085293371513125
  • Unit Cell Volume: 395.78032026327514
  • Molar Volume: 7.448264995822885
  • Full Formula: Ca4 Ti4 Ge4 O20
  • Reduced Formula: CaTiGeO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m