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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-69250
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Tc', 'Br']
  • Chemical System: Ba-Br-Tc
  • Density: 5.853470128092122
  • Atomic Density: 0.03568443297405473
  • Unit Cell Volume: 112.09369651209819
  • Molar Volume: 16.87610046761441
  • Full Formula: Ba1 Tc1 Br2
  • Reduced Formula: BaTcBr2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm