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-119221
  • 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: 21
  • Number of elements: 4
  • Element list: ['Ca', 'Hf', 'N', 'O']
  • Chemical System: Ca-Hf-N-O
  • Density: 10.0437428074635
  • Atomic Density: 0.07725933580688375
  • Unit Cell Volume: 271.81181122875915
  • Molar Volume: 7.794709464048268
  • Full Formula: Ca1 Hf8 N8 O4
  • Reduced Formula: CaHf8(N2O)4
  • Formula Anonymous: AB4C8D8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1