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  1. Third-Parties
  2. MatprojStructure
  3. mp-645514

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-645514
  • 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: 34
  • Number of elements: 3
  • Element list: ['Bi', 'Rh', 'Br']
  • Chemical System: Bi-Br-Rh
  • Density: 9.738549273986585
  • Atomic Density: 0.03349800529434328
  • Unit Cell Volume: 1014.9858088935669
  • Molar Volume: 17.97761003105741
  • Full Formula: Bi24 Rh6 Br4
  • Reduced Formula: Bi12Rh3Br2
  • Formula Anonymous: A2B3C12
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -154.94705711
  • Final energy per atom: -4.557266385588235
  • 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.