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-19367
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ca', 'Sb', 'O']
  • Chemical System: Ca-O-Sb
  • Density: 5.124269368823977
  • Atomic Density: 0.07353133406409042
  • Unit Cell Volume: 271.9928892160159
  • Molar Volume: 8.189897322889667
  • Full Formula: Ca4 Sb4 O12
  • Reduced Formula: CaSbO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m