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  1. Third-Parties
  2. MatprojStructure
  3. mp-1095529

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-1095529
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Lu', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Lu-O
  • Density: 5.834253179413432
  • Atomic Density: 0.08624314820150814
  • Unit Cell Volume: 139.14148834133303
  • Molar Volume: 6.9827469028950535
  • Full Formula: Lu2 H4 Cl2 O4
  • Reduced Formula: LuH2ClO2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -75.29038374
  • Final energy per atom: -6.274198644999999
  • 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.