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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1499885
  • 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', 'I', 'Sc', 'Sm']
  • Chemical System: Br-C-Cl-I-Sc-Sm
  • Density: 4.895557746979445
  • Atomic Density: 0.03461466058950023
  • Unit Cell Volume: 288.8949315029057
  • Molar Volume: 17.397659423610563
  • Full Formula: Sm2 Sc2 C1 I2 Br2 Cl1
  • Reduced Formula: Sm2Sc2CI2Br2Cl
  • Formula Anonymous: ABC2D2E2F2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m