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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226837

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-1226837
  • 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: 10
  • Number of elements: 3
  • Element list: ['Cd', 'Te', 'Pb']
  • Chemical System: Cd-Pb-Te
  • Density: 5.540206875372126
  • Atomic Density: 0.025766737656845593
  • Unit Cell Volume: 388.09724898732935
  • Molar Volume: 23.371762619704654
  • Full Formula: Cd4 Te5 Pb1
  • Reduced Formula: Cd4Te5Pb
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -29.05592948
  • Final energy per atom: -2.905592948
  • 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.