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  1. Third-Parties
  2. MatprojStructure
  3. mp-558846

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-558846
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Cs', 'As', 'Pd', 'O']
  • Chemical System: As-Cs-O-Pd
  • Density: 4.349787065866467
  • Atomic Density: 0.0543392365788905
  • Unit Cell Volume: 1693.0675841651373
  • Molar Volume: 11.082490552212613
  • Full Formula: Cs8 As16 Pd12 O56
  • Reduced Formula: Cs2As4Pd3O14
  • Formula Anonymous: A2B3C4D14
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -563.62599603
  • Final energy per atom: -6.126369522065217
  • 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.