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  1. Third-Parties
  2. MatprojStructure
  3. mp-861944

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-861944
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Pr', 'Ta', 'O']
  • Chemical System: K-Na-O-Pr-Ta
  • Density: 5.458075914764734
  • Atomic Density: 0.06376327346618012
  • Unit Cell Volume: 282.2941643601023
  • Molar Volume: 9.444528852795065
  • Full Formula: K2 Na2 Pr2 Ta2 O10
  • Reduced Formula: KNaPrTaO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -143.54666788
  • Final energy per atom: -7.974814882222223
  • 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.