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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113508
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Ta', 'S']
  • Chemical System: Ba-S-Ta
  • Density: 5.931592964154922
  • Atomic Density: 0.04309226013421163
  • Unit Cell Volume: 116.03011734421469
  • Molar Volume: 13.974993980923562
  • Full Formula: Ba1 Ta1 S3
  • Reduced Formula: BaTaS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m