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  1. Third-Parties
  2. MatprojStructure
  3. mp-22908

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-22908
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Bi', 'Cl']
  • Chemical System: Bi-Cl
  • Density: 4.180392274674802
  • Atomic Density: 0.031933733264930625
  • Unit Cell Volume: 501.03756636469046
  • Molar Volume: 18.858242191850046
  • Full Formula: Bi4 Cl12
  • Reduced Formula: BiCl3
  • Formula Anonymous: AB3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -60.01315802
  • Final energy per atom: -3.75082237625
  • 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.