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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99499
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Zn', 'Fe', 'S']
  • Chemical System: Fe-S-Zn
  • Density: 3.9844036591723424
  • Atomic Density: 0.05047093526389985
  • Unit Cell Volume: 158.50706863603793
  • Molar Volume: 11.931898484765021
  • Full Formula: Zn3 Fe1 S4
  • Reduced Formula: Zn3FeS4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m