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-87971
  • 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', 'Zn', 'O']
  • Chemical System: K-O-Zn
  • Density: 2.908955284851587
  • Atomic Density: 0.05194399473381372
  • Unit Cell Volume: 616.0481142042224
  • Molar Volume: 11.593526433344948
  • Full Formula: K16 Zn4 O12
  • Reduced Formula: K4ZnO3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1