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-40032
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Be', 'Ir']
  • Chemical System: Be-Ir-Ti
  • Density: 13.864523598331836
  • Atomic Density: 0.07567787785532297
  • Unit Cell Volume: 52.85560474683225
  • Molar Volume: 7.957597293508699
  • Full Formula: Ti1 Be1 Ir2
  • Reduced Formula: TiBeIr2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m