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  1. Third-Parties
  2. MatprojStructure
  3. mp-570961

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-570961
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Cd', 'Bi', 'Se', 'I']
  • Chemical System: Bi-Cd-I-Se
  • Density: 6.56188386061114
  • Atomic Density: 0.032592835513386174
  • Unit Cell Volume: 306.8158950421147
  • Molar Volume: 18.476885073490006
  • Full Formula: Cd2 Bi2 Se4 I2
  • Reduced Formula: CdBiSe2I
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -33.90639813
  • Final energy per atom: -3.390639813
  • 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.