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-41998
  • 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: ['Sc', 'Tc', 'Mo']
  • Chemical System: Mo-Sc-Tc
  • Density: 8.889224193014305
  • Atomic Density: 0.06355928635433146
  • Unit Cell Volume: 62.93336866151592
  • Molar Volume: 9.47484011451554
  • Full Formula: Sc1 Tc2 Mo1
  • Reduced Formula: ScTc2Mo
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m