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  1. Third-Parties
  2. MatprojStructure
  3. mp-10736

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-10736
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ba', 'N']
  • Chemical System: Ba-N
  • Density: 3.8444986500611233
  • Atomic Density: 0.021739700024483284
  • Unit Cell Volume: 367.990358238172
  • Molar Volume: 27.70112169541372
  • Full Formula: Ba6 N2
  • Reduced Formula: Ba3N
  • Formula Anonymous: AB3
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -31.393325840000003
  • Final energy per atom: -3.9241657300000004
  • 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.