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-95639
  • 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: 22
  • Number of elements: 3
  • Element list: ['Na', 'Ta', 'O']
  • Chemical System: Na-O-Ta
  • Density: 4.008461252719012
  • Atomic Density: 0.07064089615927177
  • Unit Cell Volume: 311.434327650619
  • Molar Volume: 8.525006175490853
  • Full Formula: Na10 Ta2 O10
  • Reduced Formula: Na5TaO5
  • Formula Anonymous: AB5C5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m