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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10692
  • 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: 16
  • Number of elements: 3
  • Element list: ['Y', 'Cu', 'S']
  • Chemical System: Cu-S-Y
  • Density: 4.326806317322534
  • Atomic Density: 0.04812339850856043
  • Unit Cell Volume: 332.4785966052219
  • Molar Volume: 12.513955677774403
  • Full Formula: Y4 Cu4 S8
  • Reduced Formula: YCuS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm