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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1000347
  • Created at: Sept. 4, 2022, 3:26 p.m.
  • Last updated at: Sept. 4, 2022, 3:26 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 4
  • Element list: ['Cu', 'Fe', 'Mo', 'Tl']
  • Chemical System: Cu-Fe-Mo-Tl
  • Density: 11.033617606587681
  • Atomic Density: 0.06332497924597531
  • Unit Cell Volume: 63.166226781735965
  • Molar Volume: 9.509897723942395
  • Full Formula: Tl1 Fe1 Cu1 Mo1
  • Reduced Formula: TlFeCuMo
  • Formula Anonymous: ABCD
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m