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  1. Third-Parties
  2. MatprojStructure
  3. mp-773066

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-773066
  • 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: 36
  • Number of elements: 4
  • Element list: ['K', 'Ta', 'P', 'O']
  • Chemical System: K-O-P-Ta
  • Density: 5.161470085664153
  • Atomic Density: 0.0666110400307264
  • Unit Cell Volume: 540.4509520252782
  • Molar Volume: 9.040754741589534
  • Full Formula: K3 Ta6 P3 O24
  • Reduced Formula: KTa2PO8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -321.28613091
  • Final energy per atom: -8.9246147475
  • 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.