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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204019

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-1204019
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 6
  • Element list: ['Nd', 'Ag', 'H', 'C', 'N', 'O']
  • Chemical System: Ag-C-H-N-Nd-O
  • Density: 2.241567298270407
  • Atomic Density: 0.08691512567226378
  • Unit Cell Volume: 1058.5039058323412
  • Molar Volume: 6.928760343404504
  • Full Formula: Nd2 Ag2 H20 C40 N12 O16
  • Reduced Formula: NdAgH10C20(N3O4)2
  • Formula Anonymous: ABC6D8E10F20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -683.54790626
  • Final energy per atom: -7.4298685463043475
  • 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.