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  1. Third-Parties
  2. MatprojStructure
  3. mp-1346287

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-1346287
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ca', 'Ti', 'P', 'O']
  • Chemical System: Ca-O-P-Ti
  • Density: 3.216061194814764
  • Atomic Density: 0.08134891319593705
  • Unit Cell Volume: 270.4399989586927
  • Molar Volume: 7.4028533675613675
  • Full Formula: Ca2 Ti2 P4 O14
  • Reduced Formula: CaTiP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -174.06886457
  • Final energy per atom: -7.9122211168181815
  • 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.