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  1. Third-Parties
  2. MatprojStructure
  3. mp-558364

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-558364
  • 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: 50
  • Number of elements: 4
  • Element list: ['Cu', 'Te', 'Cl', 'O']
  • Chemical System: Cl-Cu-O-Te
  • Density: 4.757871242671179
  • Atomic Density: 0.058427471668631215
  • Unit Cell Volume: 855.7618286749213
  • Molar Volume: 10.30703637863076
  • Full Formula: Cu8 Te10 Cl8 O24
  • Reduced Formula: Cu4Te5(ClO3)4
  • Formula Anonymous: A4B4C5D12
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -260.40809344
  • Final energy per atom: -5.2081618688
  • 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.