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-98567
  • 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: 78
  • Number of elements: 4
  • Element list: ['Ni', 'H', 'C', 'N']
  • Chemical System: C-H-N-Ni
  • Density: 1.6940999636202576
  • Atomic Density: 0.12630989413251809
  • Unit Cell Volume: 617.528820966046
  • Molar Volume: 4.767750619505601
  • Full Formula: Ni2 H40 C16 N20
  • Reduced Formula: NiH20(C4N5)2
  • Formula Anonymous: AB8C10D20
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m