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-23790
  • 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: 20
  • Number of elements: 4
  • Element list: ['Sc', 'Fe', 'B', 'Ir']
  • Chemical System: B-Fe-Ir-Sc
  • Density: 14.008714510964554
  • Atomic Density: 0.07475866650452498
  • Unit Cell Volume: 267.5275113259202
  • Molar Volume: 8.055441651885928
  • Full Formula: Sc4 Fe2 B4 Ir10
  • Reduced Formula: Sc2FeB2Ir5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm