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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13100
  • 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: 10
  • Number of elements: 3
  • Element list: ['Hg', 'As', 'O']
  • Chemical System: As-Hg-O
  • Density: 6.566206135427668
  • Atomic Density: 0.061115022822162
  • Unit Cell Volume: 163.62588997305787
  • Molar Volume: 9.85378141398027
  • Full Formula: Hg2 As2 O6
  • Reduced Formula: HgAsO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m