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  1. Third-Parties
  2. MatprojStructure
  3. mp-772152

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-772152
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Na', 'Co', 'As', 'C', 'O']
  • Chemical System: As-C-Co-Na-O
  • Density: 3.0392406271260546
  • Atomic Density: 0.07168571144510849
  • Unit Cell Volume: 306.89518952247465
  • Molar Volume: 8.400754681232817
  • Full Formula: Na2 Co2 As2 C2 O14
  • Reduced Formula: NaCoAsCO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -149.19923316
  • Final energy per atom: -6.781783325454546
  • 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.