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  1. Third-Parties
  2. MatprojStructure
  3. mp-1350627

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-1350627
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 4
  • Element list: ['Ca', 'Cu', 'P', 'O']
  • Chemical System: Ca-Cu-O-P
  • Density: 3.2021624471819927
  • Atomic Density: 0.07491668033629091
  • Unit Cell Volume: 654.0599473981707
  • Molar Volume: 8.038451160632613
  • Full Formula: Ca3 Cu6 P8 O32
  • Reduced Formula: Ca3Cu6(PO4)8
  • Formula Anonymous: A3B6C8D32
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -340.85935843
  • Final energy per atom: -6.956313437346939
  • 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.