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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32942
  • 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: 12
  • Number of elements: 3
  • Element list: ['Bi', 'Se', 'Cl']
  • Chemical System: Bi-Cl-Se
  • Density: 6.569424051717926
  • Atomic Density: 0.03670018902542226
  • Unit Cell Volume: 326.973792742255
  • Molar Volume: 16.409018372707717
  • Full Formula: Bi4 Se4 Cl4
  • Reduced Formula: BiSeCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm