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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220512

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-1220512
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Nb', 'Fe', 'Sb', 'Pd']
  • Chemical System: Fe-Nb-Pd-Sb
  • Density: 8.675892606706817
  • Atomic Density: 0.054108749998847745
  • Unit Cell Volume: 277.2194885359471
  • Molar Volume: 11.129698542524533
  • Full Formula: Nb8 Fe2 Sb4 Pd1
  • Reduced Formula: Nb8Fe2Sb4Pd
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -123.2689989
  • Final energy per atom: -8.21793326
  • 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.