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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245956

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-1245956
  • 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: 14
  • Number of elements: 3
  • Element list: ['Al', 'Pb', 'N']
  • Chemical System: Al-N-Pb
  • Density: 6.8573082363682545
  • Atomic Density: 0.04185766612496353
  • Unit Cell Volume: 334.4668084982055
  • Molar Volume: 14.387187145172556
  • Full Formula: Al2 Pb6 N6
  • Reduced Formula: Al(PbN)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -80.81388072
  • Final energy per atom: -5.772420051428571
  • 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.