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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1732554
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Ba', 'Ni', 'O', 'Sb']
  • Chemical System: Ba-Ni-O-Sb
  • Density: 5.855997580271725
  • Atomic Density: 0.07320857745336548
  • Unit Cell Volume: 177.5748204953322
  • Molar Volume: 8.226004341958642
  • Full Formula: Ba1 Ni2 Sb2 O8
  • Reduced Formula: BaNi2(SbO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3