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  1. Third-Parties
  2. MatprojStructure
  3. mp-1206073

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-1206073
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Hf', 'Cu', 'Si', 'As']
  • Chemical System: As-Cu-Hf-Si
  • Density: 1.4464347340522428
  • Atomic Density: 0.008733125736961524
  • Unit Cell Volume: 687.0392320822752
  • Molar Volume: 68.95744938736283
  • Full Formula: Hf2 Cu1 Si1 As2
  • Reduced Formula: Hf2CuSiAs2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -20.12521956
  • Final energy per atom: -3.3542032600000002
  • 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.