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-97434
  • 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: 48
  • Number of elements: 3
  • Element list: ['Li', 'Ta', 'O']
  • Chemical System: Li-O-Ta
  • Density: 5.845377504566781
  • Atomic Density: 0.10596195949197179
  • Unit Cell Volume: 452.9927554202763
  • Molar Volume: 5.6833044508357435
  • Full Formula: Li18 Ta6 O24
  • Reduced Formula: Li3TaO4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m