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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195446

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-1195446
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 6
  • Element list: ['Co', 'H', 'C', 'Br', 'N', 'O']
  • Chemical System: Br-C-Co-H-N-O
  • Density: 1.3524401577789782
  • Atomic Density: 0.07498989096170093
  • Unit Cell Volume: 1146.821243464965
  • Molar Volume: 8.030603435702615
  • Full Formula: Co2 H48 C12 Br4 N8 O12
  • Reduced Formula: CoH24C6Br2(N2O3)2
  • Formula Anonymous: AB2C4D6E6F24
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -475.34367562
  • Final energy per atom: -5.527252042093023
  • 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.