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-100536
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'B', 'W']
  • Chemical System: B-Ti-W
  • Density: 10.129472084953749
  • Atomic Density: 0.09631918452472923
  • Unit Cell Volume: 41.528590796707064
  • Molar Volume: 6.2522754835552625
  • Full Formula: Ti1 B2 W1
  • Reduced Formula: TiB2W
  • Formula Anonymous: ABC2
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2