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-51403
  • 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: 20
  • Number of elements: 4
  • Element list: ['Na', 'H', 'C', 'N']
  • Chemical System: C-H-N-Na
  • Density: 1.8354746116486547
  • Atomic Density: 0.08632594580568516
  • Unit Cell Volume: 231.68005648057274
  • Molar Volume: 6.976049557053796
  • Full Formula: Na4 H4 C4 N8
  • Reduced Formula: NaHCN2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm