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-10971
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Ta', 'O']
  • Chemical System: Ba-O-Ta-Y
  • Density: 6.9264256950625205
  • Atomic Density: 0.06512356214434102
  • Unit Cell Volume: 153.55425395551646
  • Molar Volume: 9.247253316169068
  • Full Formula: Ba2 Y1 Ta1 O6
  • Reduced Formula: Ba2YTaO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m