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  1. Third-Parties
  2. MatprojStructure
  3. mp-19105

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-19105
  • 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: 16
  • Number of elements: 4
  • Element list: ['Na', 'Mo', 'N', 'O']
  • Chemical System: Mo-N-Na-O
  • Density: 2.8519793680319907
  • Atomic Density: 0.06055159390266168
  • Unit Cell Volume: 264.23747037477546
  • Molar Volume: 9.945470254145173
  • Full Formula: Na6 Mo2 N2 O6
  • Reduced Formula: Na3MoNO3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -101.87776727
  • Final energy per atom: -6.367360454375
  • 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.