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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200079

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-1200079
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['Al', 'B', 'H', 'N', 'O']
  • Chemical System: Al-B-H-N-O
  • Density: 1.604701407921787
  • Atomic Density: 0.10517041262353752
  • Unit Cell Volume: 722.6367007995452
  • Molar Volume: 5.726078855995876
  • Full Formula: Al2 B10 H32 N4 O28
  • Reduced Formula: AlB5H16(NO7)2
  • Formula Anonymous: AB2C5D14E16
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -488.51671226
  • Final energy per atom: -6.427851477105263
  • 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.