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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226362

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-1226362
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 6
  • Element list: ['Cu', 'Te', 'Mo', 'H', 'Cl', 'O']
  • Chemical System: Cl-Cu-H-Mo-O-Te
  • Density: 4.19739499320893
  • Atomic Density: 0.06464384148745272
  • Unit Cell Volume: 479.55070872477546
  • Molar Volume: 9.3158769983818
  • Full Formula: Cu6 Te2 Mo2 H2 Cl4 O15
  • Reduced Formula: Cu6Te2Mo2H2Cl4O15
  • Formula Anonymous: A2B2C2D4E6F15
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -181.34604735
  • Final energy per atom: -5.84987249516129
  • 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.