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-23193
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['F', 'Na', 'Th']
  • Chemical System: F-Na-Th
  • Density: 6.870428585819284
  • Atomic Density: 0.07544945081567254
  • Unit Cell Volume: 318.0937666283803
  • Molar Volume: 7.981689322977903
  • Full Formula: Na2 Th4 F18
  • Reduced Formula: NaTh2F9
  • Formula Anonymous: AB2C9
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m