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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-81491
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Hg', 'Au']
  • Chemical System: Au-Ca-Hg
  • Density: 6.923045656774932
  • Atomic Density: 0.034909322595121424
  • Unit Cell Volume: 114.58257286719737
  • Molar Volume: 17.250809561230483
  • Full Formula: Ca2 Hg1 Au1
  • Reduced Formula: Ca2HgAu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm