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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-22904
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['K', 'Sm', 'F']
  • Chemical System: F-K-Sm
  • Density: 4.049540850401203
  • Atomic Density: 0.06029858591121587
  • Unit Cell Volume: 530.69237887464
  • Molar Volume: 9.987200643257289
  • Full Formula: K8 Sm4 F20
  • Reduced Formula: K2SmF5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm