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-65448
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Cr', 'W']
  • Chemical System: Ba-Cr-W
  • Density: 8.341852496966105
  • Atomic Density: 0.047263058123402035
  • Unit Cell Volume: 84.6326953612725
  • Molar Volume: 12.74175010909455
  • Full Formula: Ba1 Cr2 W1
  • Reduced Formula: BaCr2W
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm