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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201121

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-1201121
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Cu', 'Te', 'Pb', 'C', 'O']
  • Chemical System: C-Cu-O-Pb-Te
  • Density: 6.836895918643019
  • Atomic Density: 0.06689652452790935
  • Unit Cell Volume: 956.7014198667239
  • Molar Volume: 9.002172837076987
  • Full Formula: Cu4 Te4 Pb12 C4 O40
  • Reduced Formula: CuTePb3CO10
  • Formula Anonymous: ABCD3E10
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -400.20077878
  • Final energy per atom: -6.2531371684375
  • 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.