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-54300
  • 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: 24
  • Number of elements: 2
  • Element list: ['Ti', 'As']
  • Chemical System: As-Ti
  • Density: 6.234446140542346
  • Atomic Density: 0.056969309977875804
  • Unit Cell Volume: 421.2794574714082
  • Molar Volume: 10.570850800788559
  • Full Formula: Ti8 As16
  • Reduced Formula: TiAs2
  • Formula Anonymous: AB2
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm