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-98134
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Y
  • Density: 5.895344825570887
  • Atomic Density: 0.064664106157349
  • Unit Cell Volume: 201.03888807133177
  • Molar Volume: 9.312957555380345
  • Full Formula: Ba2 Y1 Cu4 O6
  • Reduced Formula: Ba2Y(Cu2O3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm