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  1. Third-Parties
  2. MatprojStructure
  3. mp-680761

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-680761
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 156
  • Number of elements: 3
  • Element list: ['Cd', 'P', 'O']
  • Chemical System: Cd-O-P
  • Density: 4.909408974334761
  • Atomic Density: 0.07290680454908186
  • Unit Cell Volume: 2139.717972346171
  • Molar Volume: 8.260053087288735
  • Full Formula: Cd36 P24 O96
  • Reduced Formula: Cd3(PO4)2
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -989.49604205
  • Final energy per atom: -6.342923346474359
  • 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.