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-1000083
  • 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: ['Cr', 'Cu', 'Re', 'Ti']
  • Chemical System: Cr-Cu-Re-Ti
  • Density: 10.817056527518346
  • Atomic Density: 0.07452956204259921
  • Unit Cell Volume: 53.669978601426656
  • Molar Volume: 8.08020414309948
  • Full Formula: Ti1 Cr1 Cu1 Re1
  • Reduced Formula: TiCrCuRe
  • Formula Anonymous: ABCD
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m