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  1. Third-Parties
  2. MatprojStructure
  3. mp-685043

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-685043
  • 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: 36
  • Number of elements: 2
  • Element list: ['B', 'Br']
  • Chemical System: B-Br
  • Density: 2.7119402440336255
  • Atomic Density: 0.036006583008153285
  • Unit Cell Volume: 999.8171720945642
  • Molar Volume: 16.72511040171836
  • Full Formula: B18 Br18
  • Reduced Formula: BBr
  • Formula Anonymous: AB
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -171.63333336
  • Final energy per atom: -4.767592593333333
  • 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.