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-117741
  • 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: ['Na', 'Bi', 'O']
  • Chemical System: Bi-Na-O
  • Density: 6.5679133264746605
  • Atomic Density: 0.04785211993555173
  • Unit Cell Volume: 62.69314722190918
  • Molar Volume: 12.584898575258
  • Full Formula: Na1 Bi1 O1
  • Reduced Formula: NaBiO
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2