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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229188

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-1229188
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Al', 'C', 'Br', 'N', 'O']
  • Chemical System: Al-Br-C-N-O
  • Density: 3.6596393187230785
  • Atomic Density: 0.061375407555017386
  • Unit Cell Volume: 260.69073326572175
  • Molar Volume: 9.811976815961195
  • Full Formula: Al1 C2 Br5 N2 O6
  • Reduced Formula: AlC2Br5(NO3)2
  • Formula Anonymous: AB2C2D5E6
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -69.67982214
  • Final energy per atom: -4.35498888375
  • 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.