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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203982

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-1203982
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Sb', 'Br', 'N']
  • Chemical System: Br-N-Sb
  • Density: 3.495878246870622
  • Atomic Density: 0.030113607908705667
  • Unit Cell Volume: 1195.472827737543
  • Molar Volume: 19.99807123164088
  • Full Formula: Sb4 Br24 N8
  • Reduced Formula: Sb(Br3N)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -103.04030435
  • Final energy per atom: -2.8622306763888887
  • 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.