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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210852

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-1210852
  • 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: 65
  • Number of elements: 6
  • Element list: ['Na', 'Ni', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-Na-Ni-O
  • Density: 1.7672463965512075
  • Atomic Density: 0.09541255891919984
  • Unit Cell Volume: 681.2520357518687
  • Molar Volume: 6.311685618975855
  • Full Formula: Na2 Ni1 H20 C12 N12 O18
  • Reduced Formula: Na2NiH20C12(N2O3)6
  • Formula Anonymous: AB2C12D12E18F20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -444.87125262
  • Final energy per atom: -6.84417311723077
  • 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.