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-20516
  • Created at: Sept. 4, 2022, 2:59 p.m.
  • Last updated at: Sept. 4, 2022, 2:59 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['H', 'Na', 'O', 'Ti']
  • Chemical System: H-Na-O-Ti
  • Density: 3.2799921162726093
  • Atomic Density: 0.08900731829952879
  • Unit Cell Volume: 101.11528098973909
  • Molar Volume: 6.765893945635121
  • Full Formula: Na1 Ti2 H1 O5
  • Reduced Formula: NaTi2HO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1