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-68638
  • 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: ['Be', 'Hg', 'Sb']
  • Chemical System: Be-Hg-Sb
  • Density: 7.852828892862229
  • Atomic Density: 0.041746657172792315
  • Unit Cell Volume: 95.81605500636188
  • Molar Volume: 14.42544425790535
  • Full Formula: Be1 Hg1 Sb2
  • Reduced Formula: BeHgSb2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2