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  1. Third-Parties
  2. MatprojStructure
  3. mp-608358

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-608358
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Cu', 'Ag', 'P', 'O']
  • Chemical System: Ag-Cu-O-P
  • Density: 5.04328580416819
  • Atomic Density: 0.0798089947204963
  • Unit Cell Volume: 701.6752960755971
  • Molar Volume: 7.545691787110573
  • Full Formula: Cu8 Ag8 P8 O32
  • Reduced Formula: CuAgPO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -351.76225701
  • Final energy per atom: -6.281468875178571
  • 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.