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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246510

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-1246510
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Zr', 'Ge', 'N']
  • Chemical System: Ge-N-Zr
  • Density: 5.460636084186653
  • Atomic Density: 0.06987126808239111
  • Unit Cell Volume: 973.2183466287669
  • Molar Volume: 8.618908637666038
  • Full Formula: Zr20 Ge12 N36
  • Reduced Formula: Zr5(GeN3)3
  • Formula Anonymous: A3B5C9
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -586.0102601
  • Final energy per atom: -8.617797942647059
  • 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.