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-54940
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Cr', 'As']
  • Chemical System: As-Ba-Cr
  • Density: 5.9312537080028465
  • Atomic Density: 0.0456573084800696
  • Unit Cell Volume: 109.51149260545237
  • Molar Volume: 13.189872466154668
  • Full Formula: Ba1 Cr2 As2
  • Reduced Formula: Ba(CrAs)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm