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-117616
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Zn', 'O']
  • Chemical System: Ba-O-Zn
  • Density: 2.315990715045783
  • Atomic Density: 0.019128895582990156
  • Unit Cell Volume: 156.83080013608665
  • Molar Volume: 31.4819051307647
  • Full Formula: Ba1 Zn1 O1
  • Reduced Formula: BaZnO
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm