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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121251
  • 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: ['Na', 'Nb', 'S']
  • Chemical System: Na-Nb-S
  • Density: 3.0807367767430254
  • Atomic Density: 0.04373739918768049
  • Unit Cell Volume: 114.31864017667401
  • Molar Volume: 13.768858852714443
  • Full Formula: Na1 Nb1 S3
  • Reduced Formula: NaNbS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m