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-9587
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ba', 'Zn', 'O']
  • Chemical System: Ba-O-Zn
  • Density: 5.632694656124694
  • Atomic Density: 0.05780289942352822
  • Unit Cell Volume: 207.60204279848796
  • Molar Volume: 10.418406031633655
  • Full Formula: Ba3 Zn3 O6
  • Reduced Formula: BaZnO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321