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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52213
  • 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: ['Na', 'Ti', 'S']
  • Chemical System: Na-S-Ti
  • Density: 3.0802571794116216
  • Atomic Density: 0.054967586576875394
  • Unit Cell Volume: 72.77015872628436
  • Molar Volume: 10.95580347443067
  • Full Formula: Na1 Ti1 S2
  • Reduced Formula: NaTiS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1