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-878940
  • Created at: Sept. 4, 2022, 3:43 p.m.
  • Last updated at: Sept. 4, 2022, 3:43 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ca', 'La', 'Tm']
  • Chemical System: Ca-La-Tm
  • Density: 0.6080357948721532
  • Atomic Density: 0.003157365108698118
  • Unit Cell Volume: 950.159356526555
  • Molar Volume: 190.73311298113128
  • Full Formula: Ca1 La1 Tm1
  • Reduced Formula: CaLaTm
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m