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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223325

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-1223325
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 61
  • Number of elements: 6
  • Element list: ['Li', 'Ni', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-Li-N-Ni-O
  • Density: 1.9019971330509513
  • Atomic Density: 0.10992846172391951
  • Unit Cell Volume: 554.9063367519761
  • Molar Volume: 5.478236177928461
  • Full Formula: Li2 Ni2 H24 C6 N12 O15
  • Reduced Formula: Li2Ni2H24C6(N4O5)3
  • Formula Anonymous: A2B2C6D12E15F24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -379.78036505
  • Final energy per atom: -6.225907623770492
  • 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.