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  1. Third-Parties
  2. MatprojStructure
  3. mp-24757

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-24757
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['Al', 'B', 'P', 'H', 'N', 'O']
  • Chemical System: Al-B-H-N-O-P
  • Density: 2.369024369912713
  • Atomic Density: 0.10315254972406185
  • Unit Cell Volume: 736.772868952864
  • Molar Volume: 5.838092006556816
  • Full Formula: Al4 B4 P8 H20 N4 O36
  • Reduced Formula: AlBP2H5NO9
  • Formula Anonymous: ABCD2E5F9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -530.62718138
  • Final energy per atom: -6.981936597105263
  • 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.