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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227437

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-1227437
  • 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: 128
  • Number of elements: 3
  • Element list: ['Cs', 'Bi', 'Se']
  • Chemical System: Bi-Cs-Se
  • Density: 6.327264895886841
  • Atomic Density: 0.029603851898568387
  • Unit Cell Volume: 4323.761665832072
  • Molar Volume: 20.34242294088502
  • Full Formula: Cs12 Bi44 Se72
  • Reduced Formula: Cs3Bi11Se18
  • Formula Anonymous: A3B11C18
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -534.90869239
  • Final energy per atom: -4.178974159296875
  • 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.