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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86414
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ba', 'V', 'S']
  • Chemical System: Ba-S-V
  • Density: 4.270725056837585
  • Atomic Density: 0.04520598855111964
  • Unit Cell Volume: 221.20962997395452
  • Molar Volume: 13.321555291706693
  • Full Formula: Ba2 V2 S6
  • Reduced Formula: BaVS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2