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-113076
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Mg', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-Mg-Na-O-Si
  • Density: 3.264932022493813
  • Atomic Density: 0.09392114505982908
  • Unit Cell Volume: 212.94459290567337
  • Molar Volume: 6.411911562794313
  • Full Formula: Na1 Ca1 Mg1 Al1 Si4 O12
  • Reduced Formula: NaCaMgAl(SiO3)4
  • Formula Anonymous: ABCDE4F12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2