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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-17518
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Co', 'S']
  • Chemical System: Ba-Co-S
  • Density: 5.0485864491450405
  • Atomic Density: 0.04670421364565858
  • Unit Cell Volume: 171.2907546350188
  • Molar Volume: 12.894212941233823
  • Full Formula: Ba2 Co2 S4
  • Reduced Formula: BaCoS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm