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-92561
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Th', 'Si', 'Ru']
  • Chemical System: Ru-Si-Th
  • Density: 7.63196205227394
  • Atomic Density: 0.055060676174392004
  • Unit Cell Volume: 90.80891023139004
  • Molar Volume: 10.9372807935127
  • Full Formula: Th1 Si3 Ru1
  • Reduced Formula: ThSi3Ru
  • Formula Anonymous: ABC3
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm