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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224354

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-1224354
  • 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: 8
  • Number of elements: 3
  • Element list: ['Hf', 'Cu', 'Si']
  • Chemical System: Cu-Hf-Si
  • Density: 10.356267489947443
  • Atomic Density: 0.057897066158462976
  • Unit Cell Volume: 138.17625884710944
  • Molar Volume: 10.401461005843604
  • Full Formula: Hf4 Cu1 Si3
  • Reduced Formula: Hf4CuSi3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -65.45333815000001
  • Final energy per atom: -8.181667268750001
  • 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.