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-11748
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Na', 'Fe', 'O']
  • Chemical System: Fe-Na-O
  • Density: 2.7350039543745552
  • Atomic Density: 0.06729473851010573
  • Unit Cell Volume: 237.76004416150994
  • Molar Volume: 8.94890283152768
  • Full Formula: Na8 Fe2 O6
  • Reduced Formula: Na4FeO3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m