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-63900
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Tc', 'Mo']
  • Chemical System: Ba-Mo-Tc
  • Density: 5.4979412771911855
  • Atomic Density: 0.02672812542212133
  • Unit Cell Volume: 224.48263412570438
  • Molar Volume: 22.531100348009524
  • Full Formula: Ba4 Tc1 Mo1
  • Reduced Formula: Ba4TcMo
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m