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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245949

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-1245949
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Zn', 'Os', 'N']
  • Chemical System: N-Os-Zn
  • Density: 7.9980082560509755
  • Atomic Density: 0.07959685502674446
  • Unit Cell Volume: 150.75972531789117
  • Molar Volume: 7.565802390027303
  • Full Formula: Zn4 Os2 N6
  • Reduced Formula: Zn2OsN3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -76.15950843
  • Final energy per atom: -6.3466257025
  • 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.