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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220751

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-1220751
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Nb', 'Al', 'Si']
  • Chemical System: Al-Nb-Si
  • Density: 6.7390813370853975
  • Atomic Density: 0.059340213994702774
  • Unit Cell Volume: 269.63165318932454
  • Molar Volume: 10.148498555360096
  • Full Formula: Nb10 Al3 Si3
  • Reduced Formula: Nb10(AlSi)3
  • Formula Anonymous: A3B3C10
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -135.37039149
  • Final energy per atom: -8.460649468125
  • 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.