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-75592
  • 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: ['Zn', 'B', 'As']
  • Chemical System: As-B-Zn
  • Density: 5.85351051501549
  • Atomic Density: 0.06511302997774238
  • Unit Cell Volume: 61.43163666884067
  • Molar Volume: 9.2487490784234
  • Full Formula: Zn2 B1 As1
  • Reduced Formula: Zn2BAs
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m