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-35515
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Na', 'Ti', 'As', 'O']
  • Chemical System: As-Na-O-Ti
  • Density: 4.050158221886305
  • Atomic Density: 0.055513234509214214
  • Unit Cell Volume: 126.0960573075259
  • Molar Volume: 10.848117234099249
  • Full Formula: Na2 Ti2 As2 O1
  • Reduced Formula: Na2Ti2As2O
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm