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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103690

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-1103690
  • 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: 14
  • Number of elements: 4
  • Element list: ['Lu', 'W', 'Cl', 'O']
  • Chemical System: Cl-Lu-O-W
  • Density: 6.241011551509634
  • Atomic Density: 0.05741088645922233
  • Unit Cell Volume: 243.85618936477994
  • Molar Volume: 10.489544982513712
  • Full Formula: Lu2 W2 Cl2 O8
  • Reduced Formula: LuWClO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -116.85081371
  • Final energy per atom: -8.346486693571428
  • 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.