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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119239
  • 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: 14
  • Number of elements: 4
  • Element list: ['Sm', 'Mg', 'Ti', 'S']
  • Chemical System: Mg-S-Sm-Ti
  • Density: 3.9202946392255216
  • Atomic Density: 0.041105506816819
  • Unit Cell Volume: 340.5869695850987
  • Molar Volume: 14.65044765616645
  • Full Formula: Sm3 Mg2 Ti1 S8
  • Reduced Formula: Sm3Mg2TiS8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m