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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96505
  • 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: 26
  • Number of elements: 3
  • Element list: ['Ta', 'Fe', 'S']
  • Chemical System: Fe-S-Ta
  • Density: 7.7178671505449055
  • Atomic Density: 0.05831310801645139
  • Unit Cell Volume: 445.86887724565867
  • Molar Volume: 10.327250535678914
  • Full Formula: Ta8 Fe2 S16
  • Reduced Formula: Ta4FeS8
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm