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  1. Third-Parties
  2. MatprojStructure
  3. mp-14504

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-14504
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Hf', 'Cr', 'Si']
  • Chemical System: Cr-Hf-Si
  • Density: 9.24733453752049
  • Atomic Density: 0.06562258830574606
  • Unit Cell Volume: 1097.1831782151073
  • Molar Volume: 9.176932692660474
  • Full Formula: Hf24 Cr20 Si28
  • Reduced Formula: Hf6Cr5Si7
  • Formula Anonymous: A5B6C7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -627.2596718699999
  • Final energy per atom: -8.711939887083332
  • 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.