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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103212
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['K', 'Cu', 'H']
  • Chemical System: Cu-H-K
  • Density: 2.9657622695681014
  • Atomic Density: 0.08451100414301063
  • Unit Cell Volume: 118.32778584760239
  • Molar Volume: 7.125865821933974
  • Full Formula: K2 Cu2 H6
  • Reduced Formula: KCuH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm