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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91335
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['Te', 'Cl', 'O']
  • Chemical System: Cl-O-Te
  • Density: 5.441221808298144
  • Atomic Density: 0.061490235875523803
  • Unit Cell Volume: 617.9842939117087
  • Molar Volume: 9.793653698435582
  • Full Formula: Te12 Cl4 O22
  • Reduced Formula: Te6Cl2O11
  • Formula Anonymous: A2B6C11
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm