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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112712
  • 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: 28
  • Number of elements: 3
  • Element list: ['Sm', 'Mg', 'Se']
  • Chemical System: Mg-Se-Sm
  • Density: 5.481527700676302
  • Atomic Density: 0.036056536061890875
  • Unit Cell Volume: 776.5582348769757
  • Molar Volume: 16.701939281308174
  • Full Formula: Sm8 Mg4 Se16
  • Reduced Formula: Sm2MgSe4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm