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-1212001
  • Created at: Sept. 4, 2022, 3:38 p.m.
  • Last updated at: Sept. 4, 2022, 3:38 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['F', 'K', 'Y']
  • Chemical System: F-K-Y
  • Density: 3.785854681008032
  • Atomic Density: 0.06515869255413104
  • Unit Cell Volume: 153.47146494218603
  • Molar Volume: 9.242267645252495
  • Full Formula: K1 Y2 F7
  • Reduced Formula: KY2F7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm