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  1. Third-Parties
  2. MatprojStructure
  3. mp-582968

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-582968
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 2
  • Element list: ['Bi', 'Cl']
  • Chemical System: Bi-Cl
  • Density: 6.22584187131544
  • Atomic Density: 0.03244942220095249
  • Unit Cell Volume: 3204.9877300110224
  • Molar Volume: 18.558545427114666
  • Full Formula: Bi48 Cl56
  • Reduced Formula: Bi6Cl7
  • Formula Anonymous: A6B7
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -394.00018709
  • Final energy per atom: -3.7884633374038463
  • 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.