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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35975
  • 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: 4
  • Number of elements: 3
  • Element list: ['Li', 'Sc', 'S']
  • Chemical System: Li-S-Sc
  • Density: 2.7132089750073733
  • Atomic Density: 0.05632943627573661
  • Unit Cell Volume: 71.01082958508078
  • Molar Volume: 10.69093028114322
  • Full Formula: Li1 Sc1 S2
  • Reduced Formula: LiScS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m