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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29345
  • 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: 10
  • Number of elements: 3
  • Element list: ['Th', 'Te', 'I']
  • Chemical System: I-Te-Th
  • Density: 6.11119769327916
  • Atomic Density: 0.024831416046372606
  • Unit Cell Volume: 402.7156558983598
  • Molar Volume: 24.25210366075647
  • Full Formula: Th2 Te4 I4
  • Reduced Formula: Th(TeI)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m