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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211846

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-1211846
  • 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: 64
  • Number of elements: 4
  • Element list: ['Li', 'Nd', 'C', 'O']
  • Chemical System: C-Li-Nd-O
  • Density: 2.6653684265252404
  • Atomic Density: 0.0714937154236673
  • Unit Cell Volume: 895.1835783151008
  • Molar Volume: 8.423314866646908
  • Full Formula: Li4 Nd4 C16 O40
  • Reduced Formula: LiNd(C2O5)2
  • Formula Anonymous: ABC4D10
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -475.78374759
  • Final energy per atom: -7.43412105609375
  • 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.