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-9454
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Ba', 'Ti', 'Tl', 'O']
  • Chemical System: Ba-O-Ti-Tl
  • Density: 6.356245746485121
  • Atomic Density: 0.06592899973041133
  • Unit Cell Volume: 257.85314610435904
  • Molar Volume: 9.1342820073488
  • Full Formula: Ba2 Ti3 Tl2 O10
  • Reduced Formula: Ba2Ti3Tl2O10
  • Formula Anonymous: A2B2C3D10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1