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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-57754
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ba', 'V', 'S']
  • Chemical System: Ba-S-V
  • Density: 4.26450905067872
  • Atomic Density: 0.04514019159638442
  • Unit Cell Volume: 221.53206812708714
  • Molar Volume: 13.340972971152283
  • Full Formula: Ba2 V2 S6
  • Reduced Formula: BaVS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm