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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226695

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-1226695
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Co', 'H', 'Br', 'N', 'O']
  • Chemical System: Br-Co-H-N-O
  • Density: 2.131742209621545
  • Atomic Density: 0.09539285954408125
  • Unit Cell Volume: 545.1141757205704
  • Molar Volume: 6.312989031655095
  • Full Formula: Co2 H30 Br4 N12 O4
  • Reduced Formula: CoH15Br2(N3O)2
  • Formula Anonymous: AB2C2D6E15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -272.39049505
  • Final energy per atom: -5.238278750961539
  • 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.