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  1. Third-Parties
  2. MatprojStructure
  3. mp-5273

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-5273
  • 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: 4
  • Number of elements: 3
  • Element list: ['K', 'Pr', 'Te']
  • Chemical System: K-Pr-Te
  • Density: 4.659038787927928
  • Atomic Density: 0.025787687320817015
  • Unit Cell Volume: 155.1127850371838
  • Molar Volume: 23.352775629238568
  • Full Formula: K1 Pr1 Te2
  • Reduced Formula: KPrTe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -18.67597486
  • Final energy per atom: -4.668993715
  • 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.