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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112621
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ti', 'Cr', 'Si']
  • Chemical System: Cr-Si-Ti
  • Density: 4.449709140595257
  • Atomic Density: 0.07576662802633018
  • Unit Cell Volume: 237.5716125804714
  • Molar Volume: 7.948276064109921
  • Full Formula: Ti3 Cr3 Si12
  • Reduced Formula: TiCrSi4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2