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  1. Third-Parties
  2. MatprojStructure
  3. mp-776543

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-776543
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Na', 'Co', 'As', 'C', 'O']
  • Chemical System: As-C-Co-Na-O
  • Density: 2.880774669856789
  • Atomic Density: 0.0794017403497714
  • Unit Cell Volume: 705.274213805834
  • Molar Volume: 7.584393910601908
  • Full Formula: Na10 Co4 As2 C8 O32
  • Reduced Formula: Na5Co2As(CO4)4
  • Formula Anonymous: AB2C4D5E16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -379.547306
  • Final energy per atom: -6.777630464285714
  • 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.