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  1. Third-Parties
  2. MatprojStructure
  3. mp-734271

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-734271
  • 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: 52
  • Number of elements: 4
  • Element list: ['Nb', 'S', 'N', 'O']
  • Chemical System: N-Nb-O-S
  • Density: 2.448372044740049
  • Atomic Density: 0.0608427963879738
  • Unit Cell Volume: 854.6615719043172
  • Molar Volume: 9.897869784943577
  • Full Formula: Nb4 S8 N4 O36
  • Reduced Formula: NbS2NO9
  • Formula Anonymous: ABC2D9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -358.45904793000005
  • Final energy per atom: -6.893443229423078
  • 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.