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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35326
  • 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: 6
  • Number of elements: 3
  • Element list: ['Th', 'Si', 'Te']
  • Chemical System: Si-Te-Th
  • Density: 7.939043520226529
  • Atomic Density: 0.03699288038758247
  • Unit Cell Volume: 162.1933717281999
  • Molar Volume: 16.279188581437072
  • Full Formula: Th2 Si2 Te2
  • Reduced Formula: ThSiTe
  • Formula Anonymous: ABC
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm