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  1. Third-Parties
  2. MatprojStructure
  3. mp-722891

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-722891
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Na', 'Ni', 'H', 'N']
  • Chemical System: H-N-Na-Ni
  • Density: 1.4459260900709938
  • Atomic Density: 0.09874266627779611
  • Unit Cell Volume: 465.8573819607689
  • Molar Volume: 6.098823322288772
  • Full Formula: Na4 Ni2 H28 N12
  • Reduced Formula: Na2Ni(H7N3)2
  • Formula Anonymous: AB2C6D14
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -229.88447854
  • Final energy per atom: -4.997488663913043
  • 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.