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-12905
  • 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: 18
  • Number of elements: 3
  • Element list: ['K', 'Zn', 'O']
  • Chemical System: K-O-Zn
  • Density: 4.204667965249469
  • Atomic Density: 0.06733913865352104
  • Unit Cell Volume: 267.30368638385926
  • Molar Volume: 8.943002361502753
  • Full Formula: K4 Zn6 O8
  • Reduced Formula: K2Zn3O4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m