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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23396
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ti', 'Cu', 'Si']
  • Chemical System: Cu-Si-Ti
  • Density: 5.517757483036178
  • Atomic Density: 0.07146036463589997
  • Unit Cell Volume: 167.92525564544192
  • Molar Volume: 8.4272460554653
  • Full Formula: Ti4 Cu4 Si4
  • Reduced Formula: TiCuSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm