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  1. Third-Parties
  2. MatprojStructure
  3. mp-541291

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-541291
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Na', 'Mo', 'N']
  • Chemical System: Mo-N-Na
  • Density: 3.1373505126559853
  • Atomic Density: 0.06391308332195728
  • Unit Cell Volume: 438.09496498474556
  • Molar Volume: 9.422391233519317
  • Full Formula: Na12 Mo4 N12
  • Reduced Formula: Na3MoN3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -174.42990322999998
  • Final energy per atom: -6.229639401071428
  • 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.