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-101231
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Ti', 'Nb', 'O']
  • Chemical System: Ba-Na-Nb-O-Ti
  • Density: 5.12005293618024
  • Atomic Density: 0.0776497706781859
  • Unit Cell Volume: 128.78338097667162
  • Molar Volume: 7.755516477902229
  • Full Formula: Ba1 Na1 Ti1 Nb1 O6
  • Reduced Formula: BaNaTiNbO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m