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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204077

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-1204077
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Cs', 'Bi', 'Te']
  • Chemical System: Bi-Cs-Te
  • Density: 6.820864314552972
  • Atomic Density: 0.026051153592148015
  • Unit Cell Volume: 1688.9847063533448
  • Molar Volume: 23.116599188970703
  • Full Formula: Cs4 Bi16 Te24
  • Reduced Formula: Cs(Bi2Te3)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -165.21454974
  • Final energy per atom: -3.7548761304545453
  • 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.