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  1. Third-Parties
  2. MatprojStructure
  3. mp-1106319

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-1106319
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 6
  • Element list: ['Cd', 'C', 'S', 'Br', 'N', 'O']
  • Chemical System: Br-C-Cd-N-O-S
  • Density: 2.7023927059714516
  • Atomic Density: 0.03912961448644815
  • Unit Cell Volume: 460.0096432392397
  • Molar Volume: 15.390237903022689
  • Full Formula: Cd2 C2 S2 Br4 N6 O2
  • Reduced Formula: CdCSBr2N3O
  • Formula Anonymous: ABCDE2F3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -95.97445897
  • Final energy per atom: -5.3319143872222226
  • 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.