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  1. Third-Parties
  2. MatprojStructure
  3. mp-720804

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-720804
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Te', 'P', 'H', 'O']
  • Chemical System: H-K-Na-O-P-Te
  • Density: 2.558874129345884
  • Atomic Density: 0.07447408161903431
  • Unit Cell Volume: 1154.764155937169
  • Molar Volume: 8.086223594949095
  • Full Formula: K6 Na6 Te2 P12 H12 O48
  • Reduced Formula: K3Na3TeP6(HO4)6
  • Formula Anonymous: AB3C3D6E6F24
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -556.69108024
  • Final energy per atom: -6.473152095813954
  • 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.