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  1. Third-Parties
  2. MatprojStructure
  3. mp-559159

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-559159
  • 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: 30
  • Number of elements: 3
  • Element list: ['Cu', 'As', 'O']
  • Chemical System: As-Cu-O
  • Density: 4.803303420657098
  • Atomic Density: 0.07917432113699528
  • Unit Cell Volume: 378.9107322826427
  • Molar Volume: 7.606179217602502
  • Full Formula: Cu8 As4 O18
  • Reduced Formula: Cu4As2O9
  • Formula Anonymous: A2B4C9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -177.72145176
  • Final energy per atom: -5.924048392
  • 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.