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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204306

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-1204306
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Na', 'Br', 'N']
  • Chemical System: Br-N-Na
  • Density: 2.031937488963692
  • Atomic Density: 0.045769335365440575
  • Unit Cell Volume: 699.1580660828756
  • Molar Volume: 13.157588398251434
  • Full Formula: Na16 Br4 N12
  • Reduced Formula: Na4BrN3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -109.88817448
  • Final energy per atom: -3.4340054525
  • 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.