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  1. Third-Parties
  2. MatprojStructure
  3. mp-680046

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-680046
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 2
  • Element list: ['Cd', 'I']
  • Chemical System: Cd-I
  • Density: 5.055521841597733
  • Atomic Density: 0.024939983461204056
  • Unit Cell Volume: 1684.0428168420412
  • Molar Volume: 24.146530687832552
  • Full Formula: Cd14 I28
  • Reduced Formula: CdI2
  • Formula Anonymous: AB2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -90.77170794
  • Final energy per atom: -2.1612311414285714
  • 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.