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-36228
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Ti', 'Ge']
  • Chemical System: Ge-Ti
  • Density: 4.708011777476465
  • Atomic Density: 0.05051666462785056
  • Unit Cell Volume: 59.386343538327296
  • Molar Volume: 11.921097333650783
  • Full Formula: Ti2 Ge1
  • Reduced Formula: Ti2Ge
  • Formula Anonymous: AB2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m