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-96748
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ba', 'Cr', 'O']
  • Chemical System: Ba-Cr-O
  • Density: 4.486277743954665
  • Atomic Density: 0.06399081339634714
  • Unit Cell Volume: 375.05383548336044
  • Molar Volume: 9.41094579107783
  • Full Formula: Ba4 Cr4 O16
  • Reduced Formula: BaCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm