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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-19685
  • 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: 3
  • Number of elements: 2
  • Element list: ['Th', 'Cu']
  • Chemical System: Cu-Th
  • Density: 10.113801032008384
  • Atomic Density: 0.050878559250458574
  • Unit Cell Volume: 58.96393381015326
  • Molar Volume: 11.836303638935535
  • Full Formula: Th1 Cu2
  • Reduced Formula: ThCu2
  • Formula Anonymous: AB2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm