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-49227
  • 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: 20
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'B', 'O']
  • Chemical System: B-K-Nb-O
  • Density: 3.7148367844904735
  • Atomic Density: 0.07339308299245963
  • Unit Cell Volume: 272.50524415297815
  • Molar Volume: 8.205324690637008
  • Full Formula: K3 Nb3 B2 O12
  • Reduced Formula: K3Nb3(BO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m