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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201733

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-1201733
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 206
  • Number of elements: 4
  • Element list: ['Nd', 'H', 'N', 'O']
  • Chemical System: H-N-Nd-O
  • Density: 2.7668929871778647
  • Atomic Density: 0.09525228477127755
  • Unit Cell Volume: 2162.677782424358
  • Molar Volume: 6.322305837031136
  • Full Formula: Nd12 H80 N16 O98
  • Reduced Formula: Nd6H40N8O49
  • Formula Anonymous: A6B8C40D49
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1266.83587304
  • Final energy per atom: -6.14968870407767
  • 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.