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-57168
  • 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: 28
  • Number of elements: 3
  • Element list: ['Na', 'Fe', 'S']
  • Chemical System: Fe-Na-S
  • Density: 2.4443601793499594
  • Atomic Density: 0.046623361033959976
  • Unit Cell Volume: 600.5573038718742
  • Molar Volume: 12.916573637008996
  • Full Formula: Na12 Fe4 S12
  • Reduced Formula: Na3FeS3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m