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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214998

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-1214998
  • 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: 166
  • Number of elements: 6
  • Element list: ['Co', 'H', 'C', 'Br', 'N', 'O']
  • Chemical System: Br-C-Co-H-N-O
  • Density: 1.5979893276174357
  • Atomic Density: 0.09749070336592648
  • Unit Cell Volume: 1702.726457690302
  • Molar Volume: 6.177143616859747
  • Full Formula: Co2 H80 C20 Br4 N40 O20
  • Reduced Formula: CoH40C10Br2(N2O)10
  • Formula Anonymous: AB2C10D10E20F40
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1028.17725006
  • Final energy per atom: -6.193838855783133
  • 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.