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  1. Third-Parties
  2. MatprojStructure
  3. mp-684817

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-684817
  • Created at: Sept. 4, 2022, 2:46 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: ['K', 'Li', 'Ta', 'P', 'O']
  • Chemical System: K-Li-O-P-Ta
  • Density: 5.041480017418095
  • Atomic Density: 0.0663322821020369
  • Unit Cell Volume: 542.7221687416439
  • Molar Volume: 9.078748038151812
  • Full Formula: K2 Li1 Ta6 P3 O24
  • Reduced Formula: K2LiTa6(PO8)3
  • Formula Anonymous: AB2C3D6E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -322.80259542
  • Final energy per atom: -8.966738761666667
  • 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.