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-66406
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'Te']
  • Chemical System: Ba-Ga-Te
  • Density: 4.549807812434851
  • Atomic Density: 0.024562602498340715
  • Unit Cell Volume: 122.13689490772242
  • Molar Volume: 24.517519104121053
  • Full Formula: Ba1 Ga1 Te1
  • Reduced Formula: BaGaTe
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m