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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246767

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-1246767
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Ga', 'Ge', 'N']
  • Chemical System: Ga-Ge-N
  • Density: 5.706201953011082
  • Atomic Density: 0.08434656911824469
  • Unit Cell Volume: 806.1975811330443
  • Molar Volume: 7.139757814639285
  • Full Formula: Ga20 Ge12 N36
  • Reduced Formula: Ga5(GeN3)3
  • Formula Anonymous: A3B5C9
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -428.03474502
  • Final energy per atom: -6.294628603235294
  • 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.