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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224671

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-1224671
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Hf', 'U', 'Si']
  • Chemical System: Hf-Si-U
  • Density: 10.518778671020105
  • Atomic Density: 0.05356511653114886
  • Unit Cell Volume: 672.0791875635238
  • Molar Volume: 11.242654081594393
  • Full Formula: Hf16 U4 Si16
  • Reduced Formula: Hf4USi4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 76
  • Spacegroup Symbol: P4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -314.14369627
  • Final energy per atom: -8.726213785277778
  • 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.