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  1. Third-Parties
  2. MatprojStructure
  3. mp-27880

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-27880
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Nb', 'Cl']
  • Chemical System: Cl-Nb
  • Density: 3.40718211953668
  • Atomic Density: 0.038942710762998524
  • Unit Cell Volume: 1027.1498623564248
  • Molar Volume: 15.46410263181254
  • Full Formula: Nb12 Cl28
  • Reduced Formula: Nb3Cl7
  • Formula Anonymous: A3B7
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -240.07910930000003
  • Final energy per atom: -6.0019777325
  • 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.