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-5785
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Li', 'Nb', 'O']
  • Chemical System: Li-Nb-O
  • Density: 3.973997373674561
  • Atomic Density: 0.10772465304889062
  • Unit Cell Volume: 297.05363716025954
  • Molar Volume: 5.59030880077828
  • Full Formula: Li12 Nb4 O16
  • Reduced Formula: Li3NbO4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m