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-9661
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Y', 'Cr', 'O']
  • Chemical System: Cr-O-Y
  • Density: 5.365206527500486
  • Atomic Density: 0.08803971670353732
  • Unit Cell Volume: 159.01913959063774
  • Molar Volume: 6.840254586777923
  • Full Formula: Y2 Cr4 O8
  • Reduced Formula: YCr2O4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m