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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195007

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-1195007
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 328
  • Number of elements: 7
  • Element list: ['Al', 'Zn', 'B', 'H', 'C', 'N', 'O']
  • Chemical System: Al-B-C-H-N-O-Zn
  • Density: 1.7887418798798134
  • Atomic Density: 0.10352011691638087
  • Unit Cell Volume: 3168.4662824032976
  • Molar Volume: 5.817362788398344
  • Full Formula: Al8 Zn8 B40 H128 C32 N32 O80
  • Reduced Formula: AlZnB5H16C4(N2O5)2
  • Formula Anonymous: ABC4D4E5F10G16
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -2140.4298663
  • Final energy per atom: -6.5257008118902435
  • 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.