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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-27801
  • 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: 40
  • Number of elements: 2
  • Element list: ['Ta', 'Br']
  • Chemical System: Br-Ta
  • Density: 6.6691170268747495
  • Atomic Density: 0.0364392985965704
  • Unit Cell Volume: 1097.715969861306
  • Molar Volume: 16.526500212511753
  • Full Formula: Ta12 Br28
  • Reduced Formula: Ta3Br7
  • Formula Anonymous: A3B7
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm