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-69222
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Tl', 'Cl']
  • Chemical System: Ba-Cl-Tl
  • Density: 6.511685780980533
  • Atomic Density: 0.026972413472287123
  • Unit Cell Volume: 148.29966936810496
  • Molar Volume: 22.327037089904707
  • Full Formula: Ba1 Tl2 Cl1
  • Reduced Formula: BaTl2Cl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm