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  1. Third-Parties
  2. MatprojStructure
  3. mp-706544

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-706544
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Na', 'Ga', 'H', 'N']
  • Chemical System: Ga-H-N-Na
  • Density: 1.612486113912027
  • Atomic Density: 0.08670024142544218
  • Unit Cell Volume: 645.9036224040641
  • Molar Volume: 6.94593309198422
  • Full Formula: Na4 Ga4 H32 N16
  • Reduced Formula: NaGa(H2N)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -284.9127831
  • Final energy per atom: -5.087728269642858
  • 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.