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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200535

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-1200535
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Al', 'B', 'P', 'H', 'O']
  • Chemical System: Al-B-H-O-P
  • Density: 1.9698259674827716
  • Atomic Density: 0.09108270439674993
  • Unit Cell Volume: 548.9516405024984
  • Molar Volume: 6.611728099077926
  • Full Formula: Al2 B4 P4 H14 O26
  • Reduced Formula: AlB2P2H7O13
  • Formula Anonymous: AB2C2D7E13
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -332.56391351
  • Final energy per atom: -6.651278270200001
  • 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.