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  1. Third-Parties
  2. MatprojStructure
  3. mp-23307

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-23307
  • 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: 36
  • Number of elements: 2
  • Element list: ['Nb', 'Cl']
  • Chemical System: Cl-Nb
  • Density: 2.2493204672813865
  • Atomic Density: 0.030082515341925402
  • Unit Cell Volume: 1196.7084397968383
  • Molar Volume: 20.01874075871263
  • Full Formula: Nb6 Cl30
  • Reduced Formula: NbCl5
  • Formula Anonymous: AB5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -178.80895428999997
  • Final energy per atom: -4.966915396944444
  • 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.