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  1. Third-Parties
  2. MatprojStructure
  3. mp-726886

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-726886
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Cd', 'P', 'O']
  • Chemical System: Cd-O-P
  • Density: 2.0757469100341748
  • Atomic Density: 0.045478137013284535
  • Unit Cell Volume: 725.6233910892267
  • Molar Volume: 13.24183696935713
  • Full Formula: Cd3 P6 O24
  • Reduced Formula: Cd(PO4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -206.32068517
  • Final energy per atom: -6.2521419748484846
  • 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.