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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202356

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-1202356
  • 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: 54
  • Number of elements: 5
  • Element list: ['Na', 'Cr', 'C', 'N', 'O']
  • Chemical System: C-Cr-N-Na-O
  • Density: 1.627881166863698
  • Atomic Density: 0.0575345808608718
  • Unit Cell Volume: 938.5659753145851
  • Molar Volume: 10.466993362761329
  • Full Formula: Na8 Cr2 C12 N12 O20
  • Reduced Formula: Na4CrC6(N3O5)2
  • Formula Anonymous: AB4C6D6E10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -319.27459088
  • Final energy per atom: -5.9124924237037035
  • 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.