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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182488

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-1182488
  • 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: 20
  • Number of elements: 4
  • Element list: ['Co', 'Br', 'N', 'O']
  • Chemical System: Br-Co-N-O
  • Density: 1.8852795072624233
  • Atomic Density: 0.035615127218066124
  • Unit Cell Volume: 561.5591340596084
  • Molar Volume: 16.90894075185336
  • Full Formula: Co2 Br4 N12 O2
  • Reduced Formula: CoBr2N6O
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -113.04516911
  • Final energy per atom: -5.6522584555
  • 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.