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-106326
  • 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: ['Th', 'Si', 'Ge']
  • Chemical System: Ge-Si-Th
  • Density: 10.224805255688572
  • Atomic Density: 0.035908182743631
  • Unit Cell Volume: 167.0928334869359
  • Molar Volume: 16.77094272075949
  • Full Formula: Th4 Si1 Ge1
  • Reduced Formula: Th4SiGe
  • Formula Anonymous: ABC4
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422