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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245376

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-1245376
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Zn', 'Ge', 'N']
  • Chemical System: Ge-N-Zn
  • Density: 5.375695632964601
  • Atomic Density: 0.07374985861717231
  • Unit Cell Volume: 759.3234895634181
  • Molar Volume: 8.165630243795167
  • Full Formula: Zn28 Ge4 N24
  • Reduced Formula: Zn7GeN6
  • Formula Anonymous: AB6C7
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -255.86022664
  • Final energy per atom: -4.568932618571429
  • 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.