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-59737
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ta', 'Cu', 'O']
  • Chemical System: Cu-O-Ta
  • Density: 8.244790741442845
  • Atomic Density: 0.08569791163536018
  • Unit Cell Volume: 210.04012415832247
  • Molar Volume: 7.027173294051636
  • Full Formula: Ta4 Cu2 O12
  • Reduced Formula: Ta2CuO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm