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-94830
  • 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: 7
  • Number of elements: 4
  • Element list: ['Pr', 'Fe', 'Si', 'C']
  • Chemical System: C-Fe-Pr-Si
  • Density: 6.331384708346315
  • Atomic Density: 0.057809604673262655
  • Unit Cell Volume: 121.08714528604187
  • Molar Volume: 10.417197616273064
  • Full Formula: Pr2 Fe2 Si2 C1
  • Reduced Formula: Pr2Fe2Si2C
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m