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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247521

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-1247521
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Mg', 'Ni', 'N']
  • Chemical System: Mg-N-Ni
  • Density: 2.8285347102501883
  • Atomic Density: 0.07210235033583319
  • Unit Cell Volume: 277.3834681788517
  • Molar Volume: 8.35221144935013
  • Full Formula: Mg10 Ni2 N8
  • Reduced Formula: Mg5NiN4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -104.49302222
  • Final energy per atom: -5.224651111
  • 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.