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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103458
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'Nd', 'S']
  • Chemical System: Li-Nd-S
  • Density: 3.9816959613791156
  • Atomic Density: 0.044546002426671796
  • Unit Cell Volume: 89.79481394732316
  • Molar Volume: 13.518925227719784
  • Full Formula: Li1 Nd1 S2
  • Reduced Formula: LiNdS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm