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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58930
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ba', 'Re', 'H']
  • Chemical System: Ba-H-Re
  • Density: 4.857637850932087
  • Atomic Density: 0.096747409980819
  • Unit Cell Volume: 227.39626832761402
  • Molar Volume: 6.2246015280346425
  • Full Formula: Ba2 Re2 H18
  • Reduced Formula: BaReH9
  • Formula Anonymous: ABC9
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm