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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2268
  • 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', 'Te', 'O']
  • Chemical System: O-Te-Th
  • Density: 9.467943331407827
  • Atomic Density: 0.04553642291358153
  • Unit Cell Volume: 131.76265538878025
  • Molar Volume: 13.22488762771012
  • Full Formula: Th2 Te2 O2
  • Reduced Formula: ThTeO
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm