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  1. Third-Parties
  2. MatprojStructure
  3. mp-1044222

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-1044222
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Ca', 'Ti', 'Co', 'P', 'O']
  • Chemical System: Ca-Co-O-P-Ti
  • Density: 3.063207689311965
  • Atomic Density: 0.07689975865813739
  • Unit Cell Volume: 468.1419113425338
  • Molar Volume: 7.8311569048893865
  • Full Formula: Ca2 Ti2 Co2 P6 O24
  • Reduced Formula: CaTiCo(PO4)3
  • Formula Anonymous: ABCD3E12
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -284.89080916
  • Final energy per atom: -7.9136335877777775
  • 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.