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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-74240
  • 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: ['Ca', 'Mg', 'Be']
  • Chemical System: Be-Ca-Mg
  • Density: 1.9986207651229235
  • Atomic Density: 0.042427559941303206
  • Unit Cell Volume: 94.27834184982206
  • Molar Volume: 14.19393613097568
  • Full Formula: Ca2 Mg1 Be1
  • Reduced Formula: Ca2MgBe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m