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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197328

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-1197328
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Al', 'N', 'F']
  • Chemical System: Al-F-N
  • Density: 2.3187630603088882
  • Atomic Density: 0.07162094312568278
  • Unit Cell Volume: 837.7437852879154
  • Molar Volume: 8.408351659698406
  • Full Formula: Al10 N10 F40
  • Reduced Formula: AlNF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -312.61925891000004
  • Final energy per atom: -5.210320981833334
  • 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.