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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191245

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-1191245
  • 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: 24
  • Number of elements: 2
  • Element list: ['Lu', 'H']
  • Chemical System: H-Lu
  • Density: 8.571883091866871
  • Atomic Density: 0.11600842464869918
  • Unit Cell Volume: 206.88152668806296
  • Molar Volume: 5.191123643163381
  • Full Formula: Lu6 H18
  • Reduced Formula: LuH3
  • Formula Anonymous: AB3
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -105.64064919999998
  • Final energy per atom: -4.401693716666666
  • 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.