Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106325
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'Ni']
  • Chemical System: Al-Ni-Ti
  • Density: 6.145724079384208
  • Atomic Density: 0.07701063864844074
  • Unit Cell Volume: 51.94087557513055
  • Molar Volume: 7.819881597777052
  • Full Formula: Ti1 Al1 Ni2
  • Reduced Formula: TiAlNi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm