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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-67074
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Sc', 'Be']
  • Chemical System: Be-Ca-Sc
  • Density: 2.3165356378517874
  • Atomic Density: 0.04450106250511854
  • Unit Cell Volume: 67.41412072250945
  • Molar Volume: 13.532577473419494
  • Full Formula: Ca1 Sc1 Be1
  • Reduced Formula: CaScBe
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm