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-107758
  • 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: 3
  • Element list: ['Fe', 'Ni', 'Se']
  • Chemical System: Fe-Ni-Se
  • Density: 6.964439216719608
  • Atomic Density: 0.06038085230869275
  • Unit Cell Volume: 115.93079150676783
  • Molar Volume: 9.973593498170976
  • Full Formula: Fe2 Ni1 Se4
  • Reduced Formula: Fe2NiSe4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m