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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53646
  • 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: 14
  • Number of elements: 3
  • Element list: ['In', 'As', 'Se']
  • Chemical System: As-In-Se
  • Density: 5.17966505876564
  • Atomic Density: 0.03327189963639764
  • Unit Cell Volume: 420.7754938249683
  • Molar Volume: 18.0997803726605
  • Full Formula: In6 As2 Se6
  • Reduced Formula: In3AsSe3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2