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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93762
  • 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: 6
  • Number of elements: 3
  • Element list: ['Th', 'Si', 'Se']
  • Chemical System: Se-Si-Th
  • Density: 7.8568227532195305
  • Atomic Density: 0.041861267968234535
  • Unit Cell Volume: 143.3305843614905
  • Molar Volume: 14.385949237299178
  • Full Formula: Th2 Si2 Se2
  • Reduced Formula: ThSiSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm