Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-685050

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-685050
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 2
  • Element list: ['Nb', 'N']
  • Chemical System: N-Nb
  • Density: 7.951725765291572
  • Atomic Density: 0.07423962702772015
  • Unit Cell Volume: 336.74738143101547
  • Molar Volume: 8.111760526155942
  • Full Formula: Nb16 N9
  • Reduced Formula: Nb16N9
  • Formula Anonymous: A9B16
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -259.15749511
  • Final energy per atom: -10.3662998044
  • 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.