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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93665
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Se', 'O']
  • Chemical System: Li-O-Se-Ti
  • Density: 4.275095286593981
  • Atomic Density: 0.06311991719871751
  • Unit Cell Volume: 95.05715891721592
  • Molar Volume: 9.540793187419391
  • Full Formula: Li1 Ti1 Se2 O2
  • Reduced Formula: LiTi(SeO)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1