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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-69080
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Sr', 'Ca']
  • Chemical System: Ba-Ca-Sr
  • Density: 2.8626701468227482
  • Atomic Density: 0.019554398990003007
  • Unit Cell Volume: 204.55755260210046
  • Molar Volume: 30.796859382273833
  • Full Formula: Ba1 Sr2 Ca1
  • Reduced Formula: BaSr2Ca
  • Formula Anonymous: ABC2
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm