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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90856
  • 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: 4
  • Element list: ['Ti', 'Cu', 'Si', 'As']
  • Chemical System: As-Cu-Si-Ti
  • Density: 5.956100136988708
  • Atomic Density: 0.06691252064148213
  • Unit Cell Volume: 119.55908884174411
  • Molar Volume: 9.000020776779106
  • Full Formula: Ti2 Cu2 Si2 As2
  • Reduced Formula: TiCuSiAs
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm