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  1. Third-Parties
  2. MatprojStructure
  3. mp-653450

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-653450
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Cu', 'Ag', 'As', 'Cl', 'O']
  • Chemical System: Ag-As-Cl-Cu-O
  • Density: 5.725635810283693
  • Atomic Density: 0.06757196998626185
  • Unit Cell Volume: 799.1479308799021
  • Molar Volume: 8.912187644113928
  • Full Formula: Cu2 Ag14 As8 Cl2 O28
  • Reduced Formula: CuAg7As4ClO14
  • Formula Anonymous: ABC4D7E14
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -286.98611725
  • Final energy per atom: -5.314557726851852
  • 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.