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  1. Third-Parties
  2. MatprojStructure
  3. mp-699543

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-699543
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['Na', 'Co', 'Mo', 'Cl', 'O']
  • Chemical System: Cl-Co-Mo-Na-O
  • Density: 3.7670371650533343
  • Atomic Density: 0.06266703892251674
  • Unit Cell Volume: 989.3558251038239
  • Molar Volume: 9.609742000808337
  • Full Formula: Na4 Co10 Mo8 Cl8 O32
  • Reduced Formula: Na2Co5Mo4(ClO4)4
  • Formula Anonymous: A2B4C4D5E16
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -445.6737648
  • Final energy per atom: -7.188286529032259
  • 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.