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-97880
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Ca', 'Te', 'O']
  • Chemical System: Ca-O-Te
  • Density: 4.287859102419312
  • Atomic Density: 0.05986309820633877
  • Unit Cell Volume: 1002.2869146062129
  • Molar Volume: 10.059854802774524
  • Full Formula: Ca12 Te12 O36
  • Reduced Formula: CaTeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m