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  1. Third-Parties
  2. MatprojStructure
  3. mp-755647

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-755647
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ca', 'Pt', 'O']
  • Chemical System: Ca-O-Pt
  • Density: 11.288785418767224
  • Atomic Density: 0.07889735426203173
  • Unit Cell Volume: 202.79513995946223
  • Molar Volume: 7.63288048924864
  • Full Formula: Ca2 Pt6 O8
  • Reduced Formula: CaPt3O4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -102.48375944
  • Final energy per atom: -6.405234965
  • 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.