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  1. Third-Parties
  2. MatprojStructure
  3. mp-24150

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-24150
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Li', 'Nd', 'H', 'O']
  • Chemical System: H-Li-Nd-O
  • Density: 6.911765117099287
  • Atomic Density: 0.08459320987855458
  • Unit Cell Volume: 82.74895833896694
  • Molar Volume: 7.118941069437639
  • Full Formula: Li1 Nd2 H1 O3
  • Reduced Formula: LiNd2HO3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -49.43666671
  • Final energy per atom: -7.062380958571429
  • 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.