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  1. Third-Parties
  2. MatprojStructure
  3. mp-680317

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-680317
  • 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: 46
  • Number of elements: 3
  • Element list: ['Cs', 'Bi', 'Se']
  • Chemical System: Bi-Cs-Se
  • Density: 6.533841528022721
  • Atomic Density: 0.030531594606807173
  • Unit Cell Volume: 1506.6360140175602
  • Molar Volume: 19.72429163151974
  • Full Formula: Cs4 Bi16 Se26
  • Reduced Formula: Cs2Bi8Se13
  • Formula Anonymous: A2B8C13
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -193.38412126
  • Final energy per atom: -4.2040026360869565
  • 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.