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  1. Third-Parties
  2. MatprojStructure
  3. mp-731755

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-731755
  • 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: 26
  • Number of elements: 3
  • Element list: ['Mo', 'N', 'O']
  • Chemical System: Mo-N-O
  • Density: 3.8156937401835025
  • Atomic Density: 0.0670049597246473
  • Unit Cell Volume: 388.0309772119165
  • Molar Volume: 8.987604476963513
  • Full Formula: Mo6 N2 O18
  • Reduced Formula: Mo3NO9
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -204.17045858
  • Final energy per atom: -7.852709945384616
  • 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.