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-89179
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['K', 'Pd', 'F']
  • Chemical System: F-K-Pd
  • Density: 4.699961545777555
  • Atomic Density: 0.06526689355113219
  • Unit Cell Volume: 490.294516237856
  • Molar Volume: 9.226945595751483
  • Full Formula: K4 Pd8 F20
  • Reduced Formula: KPd2F5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm