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-98559
  • 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: 66
  • Number of elements: 5
  • Element list: ['K', 'Ni', 'H', 'C', 'O']
  • Chemical System: C-H-K-Ni-O
  • Density: 2.1245226431985786
  • Atomic Density: 0.10028219001919961
  • Unit Cell Volume: 658.142786743727
  • Molar Volume: 6.005194699923313
  • Full Formula: K4 Ni2 H24 C8 O28
  • Reduced Formula: K2NiH12(C2O7)2
  • Formula Anonymous: AB2C4D12E14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m