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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96569
  • 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: 36
  • Number of elements: 3
  • Element list: ['H', 'Cl', 'O']
  • Chemical System: Cl-H-O
  • Density: 2.159034818996231
  • Atomic Density: 0.09877127648291138
  • Unit Cell Volume: 364.4784322112961
  • Molar Volume: 6.097056729890397
  • Full Formula: H12 Cl4 O20
  • Reduced Formula: H3ClO5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2