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-89079
  • 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: 20
  • Number of elements: 3
  • Element list: ['Cu', 'Te', 'O']
  • Chemical System: Cu-O-Te
  • Density: 6.343626282419378
  • Atomic Density: 0.0798727512830478
  • Unit Cell Volume: 250.3982857573707
  • Molar Volume: 7.5396686144679474
  • Full Formula: Cu4 Te4 O12
  • Reduced Formula: CuTeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm