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-10183
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'Se']
  • Chemical System: Ba-Ga-Se
  • Density: 4.787052768007154
  • Atomic Density: 0.03405226332043746
  • Unit Cell Volume: 411.13273054004287
  • Molar Volume: 17.68499410253778
  • Full Formula: Ba2 Ga4 Se8
  • Reduced Formula: Ba(GaSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 66
  • Spacegroup Symbol: Cccm
  • Crystal System: orthorhombic
  • Pointgroup: mmm