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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1735442
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['As', 'O', 'Ti']
  • Chemical System: As-O-Ti
  • Density: 5.312961262058631
  • Atomic Density: 0.09804294668639085
  • Unit Cell Volume: 91.79650657367759
  • Molar Volume: 6.142349820699464
  • Full Formula: Ti1 As2 O6
  • Reduced Formula: Ti(AsO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m