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-37759
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['K', 'Ca', 'O']
  • Chemical System: Ca-K-O
  • Density: 2.278764913186026
  • Atomic Density: 0.053953595535653064
  • Unit Cell Volume: 92.6722297255602
  • Molar Volume: 11.161704239007593
  • Full Formula: K1 Ca1 O3
  • Reduced Formula: KCaO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m