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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-66237
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Tc', 'Cl']
  • Chemical System: Ba-Cl-Tc
  • Density: 3.9339999644992356
  • Atomic Density: 0.026247619703342058
  • Unit Cell Volume: 114.29607842184699
  • Molar Volume: 22.943569085745374
  • Full Formula: Ba1 Tc1 Cl1
  • Reduced Formula: BaTcCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m