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  1. Third-Parties
  2. MatprojStructure
  3. mp-729173

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-729173
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Na', 'Mo', 'C', 'N', 'O']
  • Chemical System: C-Mo-N-Na-O
  • Density: 2.765231920116109
  • Atomic Density: 0.05768880602036472
  • Unit Cell Volume: 832.0505018435557
  • Molar Volume: 10.439010919855276
  • Full Formula: Na2 Mo8 C8 N2 O28
  • Reduced Formula: NaMo4C4NO14
  • Formula Anonymous: ABC4D4E14
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -345.18885226
  • Final energy per atom: -7.191434422083333
  • 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.