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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195233

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-1195233
  • 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: 94
  • Number of elements: 7
  • Element list: ['Al', 'Zn', 'B', 'H', 'C', 'N', 'O']
  • Chemical System: Al-B-C-H-N-O-Zn
  • Density: 1.7287505848315758
  • Atomic Density: 0.10714305644804276
  • Unit Cell Volume: 877.3317013369293
  • Molar Volume: 5.6206542538949655
  • Full Formula: Al2 Zn2 B10 H40 C10 N10 O20
  • Reduced Formula: AlZnB5H20C5(NO2)5
  • Formula Anonymous: ABC5D5E5F10G20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -600.6539572500001
  • Final energy per atom: -6.3899357154255325
  • 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.