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-102221
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'Sb']
  • Chemical System: Cr-Fe-Sb
  • Density: 8.053851268739509
  • Atomic Density: 0.05491470117270856
  • Unit Cell Volume: 145.68047952841872
  • Molar Volume: 10.966354421305448
  • Full Formula: Cr1 Fe3 Sb4
  • Reduced Formula: CrFe3Sb4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1