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  1. Third-Parties
  2. MatprojStructure
  3. mp-706337

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-706337
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 5
  • Element list: ['K', 'Ti', 'Cr', 'P', 'O']
  • Chemical System: Cr-K-O-P-Ti
  • Density: 3.128934716724535
  • Atomic Density: 0.07732939348105422
  • Unit Cell Volume: 1965.6173824412597
  • Molar Volume: 7.787647735107908
  • Full Formula: K16 Ti8 Cr8 P24 O96
  • Reduced Formula: K2TiCr(PO4)3
  • Formula Anonymous: ABC2D3E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1193.93728357
  • Final energy per atom: -7.854850549802632
  • 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.