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-119724
  • 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: 24
  • Number of elements: 3
  • Element list: ['Na', 'Fe', 'O']
  • Chemical System: Fe-Na-O
  • Density: 3.1638508855719114
  • Atomic Density: 0.07630279181762034
  • Unit Cell Volume: 314.5363285967967
  • Molar Volume: 7.89242518726468
  • Full Formula: Na8 Fe4 O12
  • Reduced Formula: Na2FeO3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm