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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181876

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-1181876
  • 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: 128
  • Number of elements: 4
  • Element list: ['La', 'Al', 'N', 'O']
  • Chemical System: Al-La-N-O
  • Density: 2.1183348736383354
  • Atomic Density: 0.06439704952332026
  • Unit Cell Volume: 1987.668704505585
  • Molar Volume: 9.351578689671468
  • Full Formula: La4 Al4 N24 O96
  • Reduced Formula: LaAl(NO4)6
  • Formula Anonymous: ABC6D24
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -796.62063344
  • Final energy per atom: -6.22359869875
  • 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.