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-97934
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['K', 'Mn', 'H', 'C', 'N']
  • Chemical System: C-H-K-Mn-N
  • Density: 1.4583950068850353
  • Atomic Density: 0.10580713253539828
  • Unit Cell Volume: 453.6556170628797
  • Molar Volume: 5.691620796911082
  • Full Formula: K1 Mn1 H24 C14 N8
  • Reduced Formula: KMnH24(C7N4)2
  • Formula Anonymous: ABC8D14E24
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m