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-37025
  • 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: 4
  • Number of elements: 2
  • Element list: ['Ti', 'Ru']
  • Chemical System: Ru-Ti
  • Density: 10.213888601305483
  • Atomic Density: 0.07008089380423953
  • Unit Cell Volume: 57.07689760883188
  • Molar Volume: 8.593127788612325
  • Full Formula: Ti1 Ru3
  • Reduced Formula: TiRu3
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m