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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223475

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-1223475
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Ca', 'Th', 'Si', 'O']
  • Chemical System: Ca-K-Na-O-Si-Th
  • Density: 3.348126396010324
  • Atomic Density: 0.07341335243693661
  • Unit Cell Volume: 871.7760172439631
  • Molar Volume: 8.203059198492706
  • Full Formula: K2 Na2 Ca2 Th2 Si16 O40
  • Reduced Formula: KNaCaTh(Si2O5)4
  • Formula Anonymous: ABCDE8F20
  • Spacegroup Number: 112
  • Spacegroup Symbol: P-42c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -520.43998924
  • Final energy per atom: -8.131874831875
  • 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.