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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220523

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-1220523
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Nb', 'Zn', 'Au']
  • Chemical System: Au-Nb-Zn
  • Density: 10.36958882688736
  • Atomic Density: 0.05770443003945483
  • Unit Cell Volume: 346.59384013194824
  • Molar Volume: 10.436184459117648
  • Full Formula: Nb12 Zn4 Au4
  • Reduced Formula: Nb3ZnAu
  • Formula Anonymous: ABC3
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -140.93626892
  • Final energy per atom: -7.046813446
  • 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.