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-109675
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ti', 'Nb', 'Sn']
  • Chemical System: Nb-Sn-Ti
  • Density: 7.455361483836495
  • Atomic Density: 0.05444232789941975
  • Unit Cell Volume: 146.94448802372509
  • Molar Volume: 11.061504884812583
  • Full Formula: Ti3 Nb3 Sn2
  • Reduced Formula: Ti3Nb3Sn2
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32