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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57183
  • 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: 12
  • Number of elements: 3
  • Element list: ['Fe', 'As', 'S']
  • Chemical System: As-Fe-S
  • Density: 6.167745618331272
  • Atomic Density: 0.06843210832227899
  • Unit Cell Volume: 175.35628076058035
  • Molar Volume: 8.800168382419123
  • Full Formula: Fe4 As4 S4
  • Reduced Formula: FeAsS
  • Formula Anonymous: ABC
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m