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-110656
  • 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: 6
  • Number of elements: 3
  • Element list: ['Nb', 'Fe', 'Si']
  • Chemical System: Fe-Nb-Si
  • Density: 7.157545947516005
  • Atomic Density: 0.0731245923480521
  • Unit Cell Volume: 82.05173946736987
  • Molar Volume: 8.23545207792248
  • Full Formula: Nb2 Fe2 Si2
  • Reduced Formula: NbFeSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm