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  1. Third-Parties
  2. MatprojStructure
  3. mp-530081

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-530081
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 2
  • Element list: ['Mo', 'N']
  • Chemical System: Mo-N
  • Density: 8.565070860023503
  • Atomic Density: 0.0961384686793133
  • Unit Cell Volume: 644.9031366082172
  • Molar Volume: 6.264028169709989
  • Full Formula: Mo30 N32
  • Reduced Formula: Mo15N16
  • Formula Anonymous: A15B16
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -625.54931661
  • Final energy per atom: -10.089505106612902
  • 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.