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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246272

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-1246272
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 3
  • Element list: ['Zn', 'Ge', 'N']
  • Chemical System: Ge-N-Zn
  • Density: 4.841066593995855
  • Atomic Density: 0.07215381268727572
  • Unit Cell Volume: 1663.1137777860201
  • Molar Volume: 8.346254391435645
  • Full Formula: Zn16 Ge40 N64
  • Reduced Formula: Zn2Ge5N8
  • Formula Anonymous: A2B5C8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -756.71454398
  • Final energy per atom: -6.305954533166667
  • 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.