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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98307
  • 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: 44
  • Number of elements: 3
  • Element list: ['Te', 'P', 'Cl']
  • Chemical System: Cl-P-Te
  • Density: 2.595989034340103
  • Atomic Density: 0.03600277417703913
  • Unit Cell Volume: 1222.1280444566721
  • Molar Volume: 16.726879796503674
  • Full Formula: Te4 P4 Cl36
  • Reduced Formula: TePCl9
  • Formula Anonymous: ABC9
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2