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-118670
  • 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: 6
  • Number of elements: 3
  • Element list: ['Nb', 'Al', 'O']
  • Chemical System: Al-Nb-O
  • Density: 4.31064912620631
  • Atomic Density: 0.08470270854908876
  • Unit Cell Volume: 70.83598745278316
  • Molar Volume: 7.109738121904234
  • Full Formula: Nb1 Al1 O4
  • Reduced Formula: NbAlO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2