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-69308
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Sr', 'Ni']
  • Chemical System: Ba-Ni-Sr
  • Density: 4.887411341078175
  • Atomic Density: 0.034390619983378154
  • Unit Cell Volume: 116.31078479926504
  • Molar Volume: 17.51099794918106
  • Full Formula: Ba1 Sr1 Ni2
  • Reduced Formula: BaSrNi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm