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-98616
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 25
  • Number of elements: 5
  • Element list: ['Er', 'H', 'C', 'N', 'O']
  • Chemical System: C-Er-H-N-O
  • Density: 2.698198480822445
  • Atomic Density: 0.10352471422716455
  • Unit Cell Volume: 241.48823000025322
  • Molar Volume: 5.817104451779119
  • Full Formula: Er1 H9 C5 N2 O8
  • Reduced Formula: ErH9C5(NO4)2
  • Formula Anonymous: AB2C5D8E9
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2