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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100802
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ta', 'Fe', 'S']
  • Chemical System: Fe-S-Ta
  • Density: 7.9232165722212216
  • Atomic Density: 0.06117263983379632
  • Unit Cell Volume: 114.43024232759494
  • Molar Volume: 9.844500378538383
  • Full Formula: Ta2 Fe1 S4
  • Reduced Formula: Ta2FeS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1