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  1. Third-Parties
  2. MatprojStructure
  3. mp-727466

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-727466
  • 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: 60
  • Number of elements: 3
  • Element list: ['Mo', 'N', 'O']
  • Chemical System: Mo-N-O
  • Density: 3.1397582597948626
  • Atomic Density: 0.05960585560875078
  • Unit Cell Volume: 1006.6125112578932
  • Molar Volume: 10.103270389286862
  • Full Formula: Mo12 N8 O40
  • Reduced Formula: Mo3(NO5)2
  • Formula Anonymous: A2B3C10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -432.78184819
  • Final energy per atom: -7.213030803166666
  • 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.