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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105701

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-1105701
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Hf', 'Fe', 'Si']
  • Chemical System: Fe-Hf-Si
  • Density: 9.892415568109863
  • Atomic Density: 0.06515961182517517
  • Unit Cell Volume: 245.550879629676
  • Molar Volume: 9.242137255448283
  • Full Formula: Hf6 Fe4 Si6
  • Reduced Formula: Hf3Fe2Si3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -138.04847091000002
  • Final energy per atom: -8.628029431875001
  • 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.