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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220030

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-1220030
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Sb', 'C', 'Br', 'N']
  • Chemical System: Br-C-N-Sb
  • Density: 2.9720393684766315
  • Atomic Density: 0.033244858444349046
  • Unit Cell Volume: 1203.1935725326932
  • Molar Volume: 18.11450263829787
  • Full Formula: Sb4 C12 Br18 N6
  • Reduced Formula: Sb2C6(Br3N)3
  • Formula Anonymous: A2B3C6D9
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -193.46567528000003
  • Final energy per atom: -4.836641882
  • 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.