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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98873
  • 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: 44
  • Number of elements: 5
  • Element list: ['Fe', 'Te', 'S', 'N', 'Cl']
  • Chemical System: Cl-Fe-N-S-Te
  • Density: 2.7371589828034075
  • Atomic Density: 0.040039254096139267
  • Unit Cell Volume: 1098.9215706753798
  • Molar Volume: 15.040591779107784
  • Full Formula: Fe4 Te4 S8 N8 Cl20
  • Reduced Formula: FeTeS2N2Cl5
  • Formula Anonymous: ABC2D2E5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m