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  1. Third-Parties
  2. MatprojStructure
  3. mp-997591

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-997591
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Cs', 'Na', 'Ta', 'O']
  • Chemical System: Cs-Na-O-Ta
  • Density: 6.88445103928726
  • Atomic Density: 0.07802594318887579
  • Unit Cell Volume: 512.6500028736958
  • Molar Volume: 7.718126194799502
  • Full Formula: Cs1 Na7 Ta8 O24
  • Reduced Formula: CsNa7Ta8O24
  • Formula Anonymous: AB7C8D24
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -344.43100415
  • Final energy per atom: -8.610775103749999
  • 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.