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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105323
  • 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: 4
  • Number of elements: 3
  • Element list: ['Li', 'Hf', 'S']
  • Chemical System: Hf-Li-S
  • Density: 5.818245939010664
  • Atomic Density: 0.05615989042058508
  • Unit Cell Volume: 71.22521019973044
  • Molar Volume: 10.723206037084111
  • Full Formula: Li1 Hf1 S2
  • Reduced Formula: LiHfS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m