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-69164
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Zr', 'Te']
  • Chemical System: Ba-Te-Zr
  • Density: 5.358454100365266
  • Atomic Density: 0.02615667961655872
  • Unit Cell Volume: 152.92460888146385
  • Molar Volume: 23.023338008803037
  • Full Formula: Ba2 Zr1 Te1
  • Reduced Formula: Ba2ZrTe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m