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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204198

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1204198
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Lu', 'S', 'O']
  • Chemical System: Lu-O-S
  • Density: 3.7847751270914847
  • Atomic Density: 0.06643866544676848
  • Unit Cell Volume: 1204.1181059558917
  • Molar Volume: 9.06421090716372
  • Full Formula: Lu8 S12 O60
  • Reduced Formula: Lu2(SO5)3
  • Formula Anonymous: A2B3C15
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -519.42653218
  • Final energy per atom: -6.49283165225
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.