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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245433

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-1245433
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Ga', 'Fe', 'N']
  • Chemical System: Fe-Ga-N
  • Density: 5.548001344139863
  • Atomic Density: 0.08701794629460476
  • Unit Cell Volume: 735.4804695496255
  • Molar Volume: 6.9205733029042795
  • Full Formula: Ga16 Fe16 N32
  • Reduced Formula: GaFeN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -458.61163606
  • Final energy per atom: -7.1658068134375
  • 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.