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-1491454
  • Created at: Sept. 4, 2022, 3:53 p.m.
  • Last updated at: Sept. 4, 2022, 3:53 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 6
  • Element list: ['Br', 'C', 'Cl', 'Dy', 'I', 'Nd']
  • Chemical System: Br-C-Cl-Dy-I-Nd
  • Density: 5.668177572805496
  • Atomic Density: 0.033136696654075974
  • Unit Cell Volume: 301.7802318798712
  • Molar Volume: 18.17363034966024
  • Full Formula: Nd2 Dy2 C1 I2 Br1 Cl2
  • Reduced Formula: Nd2Dy2CI2BrCl2
  • Formula Anonymous: ABC2D2E2F2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m