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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91676
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ti', 'Cu', 'Ni']
  • Chemical System: Cu-Ni-Ti
  • Density: 7.805175455325629
  • Atomic Density: 0.0821746614546194
  • Unit Cell Volume: 97.35361069200104
  • Molar Volume: 7.3284643385183905
  • Full Formula: Ti2 Cu2 Ni4
  • Reduced Formula: TiCuNi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm