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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247537

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-1247537
  • 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: 40
  • Number of elements: 3
  • Element list: ['Zr', 'Ge', 'N']
  • Chemical System: Ge-N-Zr
  • Density: 5.3096281962409195
  • Atomic Density: 0.07405247305988905
  • Unit Cell Volume: 540.1575173276183
  • Molar Volume: 8.132261504797642
  • Full Formula: Zr6 Ge12 N22
  • Reduced Formula: Zr3Ge6N11
  • Formula Anonymous: A3B6C11
  • Spacegroup Number: 100
  • Spacegroup Symbol: P4bm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -304.78509945
  • Final energy per atom: -7.619627486250001
  • 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.