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-21455
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sc', 'Ni', 'Ge']
  • Chemical System: Ge-Ni-Sc
  • Density: 6.235877898575187
  • Atomic Density: 0.06390631522863464
  • Unit Cell Volume: 187.77486946428002
  • Molar Volume: 9.423389125871003
  • Full Formula: Sc4 Ni4 Ge4
  • Reduced Formula: ScNiGe
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm