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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55617
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Lu', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Lu-O-Se
  • Density: 5.3691505769515055
  • Atomic Density: 0.05750302873252222
  • Unit Cell Volume: 417.3693199994216
  • Molar Volume: 10.472736641425
  • Full Formula: Lu4 Se4 Cl4 O12
  • Reduced Formula: LuSeClO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm