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-114099
  • 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: 3
  • Number of elements: 2
  • Element list: ['Ba', 'Te']
  • Chemical System: Ba-Te
  • Density: 3.6483590783628608
  • Atomic Density: 0.016791913871288627
  • Unit Cell Volume: 178.65741945767718
  • Molar Volume: 35.86333759308316
  • Full Formula: Ba1 Te2
  • Reduced Formula: BaTe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm