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-8401
  • 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: 9
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Cu', 'Sb', 'O']
  • Chemical System: Ba-Cu-O-Sb-Y
  • Density: 6.277360141602981
  • Atomic Density: 0.06921739634720353
  • Unit Cell Volume: 130.0251161551183
  • Molar Volume: 8.700328353571916
  • Full Formula: Ba1 Y1 Cu1 Sb1 O5
  • Reduced Formula: BaYCuSbO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm