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-91459
  • 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: 15
  • Number of elements: 4
  • Element list: ['K', 'Ca', 'N', 'O']
  • Chemical System: Ca-K-N-O
  • Density: 2.054325228252624
  • Atomic Density: 0.06138723870347068
  • Unit Cell Volume: 244.35045975039006
  • Molar Volume: 9.81008575591709
  • Full Formula: K2 Ca1 N4 O8
  • Reduced Formula: K2Ca(NO2)4
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m