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-51270
  • 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: ['B', 'Se', 'Cl']
  • Chemical System: B-Cl-Se
  • Density: 4.891302917136135
  • Atomic Density: 0.05770503991884148
  • Unit Cell Volume: 69.3180354025532
  • Molar Volume: 10.436074160020967
  • Full Formula: B1 Se2 Cl1
  • Reduced Formula: BSe2Cl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m