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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197778

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-1197778
  • 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: 80
  • Number of elements: 5
  • Element list: ['Nd', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-Nd-O
  • Density: 2.68672755726591
  • Atomic Density: 0.09452816554299134
  • Unit Cell Volume: 846.30860591086
  • Molar Volume: 6.3707369389932085
  • Full Formula: Nd4 H24 C14 N4 O34
  • Reduced Formula: Nd2H12C7N2O17
  • Formula Anonymous: A2B2C7D12E17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -563.2704220200001
  • Final energy per atom: -7.040880275250001
  • 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.