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  1. Third-Parties
  2. MatprojStructure
  3. mp-16945

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-16945
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Sr', 'Ga', 'N']
  • Chemical System: Ga-N-Sr
  • Density: 5.091064917378403
  • Atomic Density: 0.06020341246624958
  • Unit Cell Volume: 597.9727481425049
  • Molar Volume: 10.002989055439425
  • Full Formula: Sr12 Ga8 N16
  • Reduced Formula: Sr3(GaN2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -205.41945047
  • Final energy per atom: -5.706095846388888
  • 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.