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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26828
  • 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: ['As', 'Se', 'I']
  • Chemical System: As-I-Se
  • Density: 5.143374884668826
  • Atomic Density: 0.03309365832959067
  • Unit Cell Volume: 362.6072367245723
  • Molar Volume: 18.1972651679168
  • Full Formula: As4 Se4 I4
  • Reduced Formula: AsSeI
  • Formula Anonymous: ABC
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m