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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226705

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-1226705
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Cd', 'Te', 'Pb']
  • Chemical System: Cd-Pb-Te
  • Density: 7.396679632865625
  • Atomic Density: 0.030997211898265913
  • Unit Cell Volume: 129.0438641103645
  • Molar Volume: 19.42800784717318
  • Full Formula: Cd1 Te2 Pb1
  • Reduced Formula: CdTe2Pb
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -13.02848482
  • Final energy per atom: -3.257121205
  • 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.