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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119949
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Hf', 'Te']
  • Chemical System: Ba-Hf-Te
  • Density: 7.267829141975748
  • Atomic Density: 0.029611780870647645
  • Unit Cell Volume: 101.31102931987847
  • Molar Volume: 20.336975970159838
  • Full Formula: Ba1 Hf1 Te1
  • Reduced Formula: BaHfTe
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm