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-117362
  • 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: 30
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Ir', 'O']
  • Chemical System: Ba-Ir-Nd-O
  • Density: 7.760086427441444
  • Atomic Density: 0.06462766402405289
  • Unit Cell Volume: 464.19749890441204
  • Molar Volume: 9.318208929474384
  • Full Formula: Ba6 Nd2 Ir4 O18
  • Reduced Formula: Ba3NdIr2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m