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  1. Third-Parties
  2. MatprojStructure
  3. mp-679989

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-679989
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Bi', 'Mo', 'Cl']
  • Chemical System: Bi-Cl-Mo
  • Density: 3.78517725883465
  • Atomic Density: 0.038094901181410824
  • Unit Cell Volume: 2310.020429792882
  • Molar Volume: 15.808259303055037
  • Full Formula: Bi4 Mo24 Cl60
  • Reduced Formula: Bi(Mo2Cl5)3
  • Formula Anonymous: AB6C15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -506.0465237300001
  • Final energy per atom: -5.750528678750001
  • 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.