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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97532
  • 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: 30
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'H', 'O']
  • Chemical System: Ba-H-O-Zn
  • Density: 3.9961564632692257
  • Atomic Density: 0.08165019288917297
  • Unit Cell Volume: 367.42105484943784
  • Molar Volume: 7.375537701636651
  • Full Formula: Ba4 Zn2 H12 O12
  • Reduced Formula: Ba2Zn(HO)6
  • Formula Anonymous: AB2C6D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m