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-97662
  • 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: 52
  • Number of elements: 5
  • Element list: ['Na', 'Li', 'H', 'C', 'O']
  • Chemical System: C-H-Li-Na-O
  • Density: 1.7242435335112647
  • Atomic Density: 0.09783039234062818
  • Unit Cell Volume: 531.5321625098381
  • Molar Volume: 6.155695194425845
  • Full Formula: Na4 Li4 H16 C8 O20
  • Reduced Formula: NaLiH4C2O5
  • Formula Anonymous: ABC2D4E5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1