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-11388
  • 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: 18
  • Number of elements: 5
  • Element list: ['Ba', 'Li', 'Cu', 'C', 'O']
  • Chemical System: Ba-C-Cu-Li-O
  • Density: 5.166614146705236
  • Atomic Density: 0.0696748135862306
  • Unit Cell Volume: 258.3429947426114
  • Molar Volume: 8.64321043722192
  • Full Formula: Ba4 Li1 Cu1 C2 O10
  • Reduced Formula: Ba4LiCu(CO5)2
  • Formula Anonymous: ABC2D4E10
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m