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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10583
  • 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: 12
  • Number of elements: 4
  • Element list: ['K', 'Hf', 'Cu', 'S']
  • Chemical System: Cu-Hf-K-S
  • Density: 4.958871588637851
  • Atomic Density: 0.04748587940750211
  • Unit Cell Volume: 252.70670249194472
  • Molar Volume: 12.681961111682782
  • Full Formula: K2 Hf2 Cu2 S6
  • Reduced Formula: KHfCuS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm