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-1021501
  • Created at: Sept. 4, 2022, 3:28 p.m.
  • Last updated at: Sept. 4, 2022, 3:28 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['F', 'Lu', 'O']
  • Chemical System: F-Lu-O
  • Density: 10.204372274972338
  • Atomic Density: 0.08780352510324176
  • Unit Cell Volume: 136.6687725337915
  • Molar Volume: 6.858654880790952
  • Full Formula: Lu4 O4 F4
  • Reduced Formula: LuOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm