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-77284
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Al', 'Tc', 'Sb']
  • Chemical System: Al-Sb-Tc
  • Density: 0.6641074116291538
  • Atomic Density: 0.004640402001120632
  • Unit Cell Volume: 861.994283907735
  • Molar Volume: 129.7762728001946
  • Full Formula: Al1 Tc2 Sb1
  • Reduced Formula: AlTc2Sb
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm