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-11784
  • 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: 12
  • Number of elements: 3
  • Element list: ['Nd', 'Cr', 'O']
  • Chemical System: Cr-Nd-O
  • Density: 4.947383631634585
  • Atomic Density: 0.06869274423236993
  • Unit Cell Volume: 174.69093911006203
  • Molar Volume: 8.766778540144855
  • Full Formula: Nd2 Cr2 O8
  • Reduced Formula: NdCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm