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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117218
  • 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: 29
  • Number of elements: 3
  • Element list: ['Cu', 'As', 'S']
  • Chemical System: As-Cu-S
  • Density: 4.630755653706953
  • Atomic Density: 0.054677431242982084
  • Unit Cell Volume: 530.3833655082724
  • Molar Volume: 11.013942358114985
  • Full Formula: Cu12 As4 S13
  • Reduced Formula: Cu12As4S13
  • Formula Anonymous: A4B12C13
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2