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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96986
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ti', 'Cu', 'O']
  • Chemical System: Cu-O-Ti
  • Density: 5.954928186982793
  • Atomic Density: 0.075032986785206
  • Unit Cell Volume: 373.169204634683
  • Molar Volume: 8.02599099145466
  • Full Formula: Ti16 Cu8 O4
  • Reduced Formula: Ti4Cu2O
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m