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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40456
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 21
  • Number of elements: 3
  • Element list: ['Ti', 'Co', 'P']
  • Chemical System: Co-P-Ti
  • Density: 7.087387933029623
  • Atomic Density: 0.08789481427967721
  • Unit Cell Volume: 238.92194519211313
  • Molar Volume: 6.851531355237669
  • Full Formula: Ti2 Co12 P7
  • Reduced Formula: Ti2Co12P7
  • Formula Anonymous: A2B7C12
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6