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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15582
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Cu']
  • Chemical System: Ca-Cu-Si
  • Density: 4.486162377751931
  • Atomic Density: 0.06048218043345081
  • Unit Cell Volume: 82.6689772783829
  • Molar Volume: 9.95688435311327
  • Full Formula: Ca1 Si2 Cu2
  • Reduced Formula: Ca(CuSi)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm