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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117002
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ta', 'Cu', 'S']
  • Chemical System: Cu-S-Ta
  • Density: 7.414030140299779
  • Atomic Density: 0.05695431534555445
  • Unit Cell Volume: 386.27450556680606
  • Molar Volume: 10.573633838739587
  • Full Formula: Ta6 Cu4 S12
  • Reduced Formula: Ta3(CuS3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2