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  1. Third-Parties
  2. MatprojStructure
  3. mp-651907

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-651907
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Nb', 'In', 'Cl']
  • Chemical System: Cl-In-Nb
  • Density: 3.4121291730721586
  • Atomic Density: 0.037545169000623296
  • Unit Cell Volume: 2343.843491516554
  • Molar Volume: 16.039722074230177
  • Full Formula: Nb24 In4 Cl60
  • Reduced Formula: Nb6InCl15
  • Formula Anonymous: AB6C15
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -508.70984009
  • Final energy per atom: -5.780793637386363
  • 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.