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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51954
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Ti', 'Cu', 'O']
  • Chemical System: Ca-Cu-O-Ti
  • Density: 4.443677499434969
  • Atomic Density: 0.08714250164737597
  • Unit Cell Volume: 229.50913299379945
  • Molar Volume: 6.910681522971102
  • Full Formula: Ca1 Ti4 Cu3 O12
  • Reduced Formula: CaTi4(CuO4)3
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m