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-91480
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['K', 'Sb', 'S', 'O']
  • Chemical System: K-O-S-Sb
  • Density: 3.9040076588907437
  • Atomic Density: 0.04275324157562835
  • Unit Cell Volume: 1029.161728524519
  • Molar Volume: 14.085810895408095
  • Full Formula: K6 Sb14 S6 O18
  • Reduced Formula: K3Sb7(SO3)3
  • Formula Anonymous: A3B3C7D9
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6