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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113005
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Sm', 'As', 'Se']
  • Chemical System: As-Se-Sm
  • Density: 7.080715940785834
  • Atomic Density: 0.042046585435776
  • Unit Cell Volume: 285.3977291052417
  • Molar Volume: 14.322544143800952
  • Full Formula: Sm4 As4 Se4
  • Reduced Formula: SmAsSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm