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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245494

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-1245494
  • 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: 64
  • Number of elements: 3
  • Element list: ['Mn', 'Zn', 'N']
  • Chemical System: Mn-N-Zn
  • Density: 5.215594962627794
  • Atomic Density: 0.08468307579677538
  • Unit Cell Volume: 755.7590391920677
  • Molar Volume: 7.111386429151544
  • Full Formula: Mn16 Zn16 N32
  • Reduced Formula: MnZnN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -443.72952353
  • Final energy per atom: -6.93327380515625
  • 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.