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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220464

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-1220464
  • 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: 15
  • Number of elements: 4
  • Element list: ['Nb', 'Si', 'Sb', 'Pd']
  • Chemical System: Nb-Pd-Sb-Si
  • Density: 8.314204390471149
  • Atomic Density: 0.053919830674387326
  • Unit Cell Volume: 278.1907845850341
  • Molar Volume: 11.16869375270609
  • Full Formula: Nb8 Si2 Sb4 Pd1
  • Reduced Formula: Nb8Si2Sb4Pd
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -120.94681387
  • Final energy per atom: -8.063120924666666
  • 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.