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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245967

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-1245967
  • 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: 16
  • Number of elements: 3
  • Element list: ['Zn', 'W', 'N']
  • Chemical System: N-W-Zn
  • Density: 7.174578559595137
  • Atomic Density: 0.07926060309867491
  • Unit Cell Volume: 201.86573624832144
  • Molar Volume: 7.597899239427663
  • Full Formula: Zn6 W2 N8
  • Reduced Formula: Zn3WN4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -107.07005677
  • Final energy per atom: -6.691878548125
  • 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.