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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51137
  • 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: 3
  • Element list: ['Li', 'Zr', 'Sc']
  • Chemical System: Li-Sc-Zr
  • Density: 3.1554738426146685
  • Atomic Density: 0.0398321406405457
  • Unit Cell Volume: 75.3160626508297
  • Molar Volume: 15.118797692409174
  • Full Formula: Li1 Zr1 Sc1
  • Reduced Formula: LiZrSc
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m