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  1. Third-Parties
  2. MatprojStructure
  3. mp-560239

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-560239
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 4
  • Element list: ['K', 'Ti', 'P', 'O']
  • Chemical System: K-O-P-Ti
  • Density: 2.81231678342646
  • Atomic Density: 0.07135837714523377
  • Unit Cell Volume: 1737.7076800335042
  • Molar Volume: 8.439290523302262
  • Full Formula: K12 Ti12 P20 O80
  • Reduced Formula: K3Ti3(PO4)5
  • Formula Anonymous: A3B3C5D20
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -981.86163865
  • Final energy per atom: -7.918239021370968
  • 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.