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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182606

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-1182606
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 3
  • Element list: ['Mo', 'N', 'O']
  • Chemical System: Mo-N-O
  • Density: 2.544568498506526
  • Atomic Density: 0.051172352338092336
  • Unit Cell Volume: 1758.7622199850414
  • Molar Volume: 11.76834850235556
  • Full Formula: Mo16 N12 O62
  • Reduced Formula: Mo8N6O31
  • Formula Anonymous: A6B8C31
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -618.16430249
  • Final energy per atom: -6.868492249888888
  • 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.