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  1. Third-Parties
  2. MatprojStructure
  3. mp-1043473

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-1043473
  • 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: 30
  • Number of elements: 4
  • Element list: ['Ca', 'Ti', 'P', 'O']
  • Chemical System: Ca-O-P-Ti
  • Density: 3.360519203022611
  • Atomic Density: 0.0848524961319969
  • Unit Cell Volume: 353.5547139748473
  • Molar Volume: 7.0971875130602315
  • Full Formula: Ca2 Ti4 P4 O20
  • Reduced Formula: CaTi2(PO5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -251.41041805
  • Final energy per atom: -8.380347268333333
  • 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.