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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224342

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-1224342
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Hf', 'Sc', 'Si']
  • Chemical System: Hf-Sc-Si
  • Density: 4.46145843990835
  • Atomic Density: 0.059922929241242935
  • Unit Cell Volume: 200.2572329481651
  • Molar Volume: 10.049810375183
  • Full Formula: Hf1 Sc3 Si8
  • Reduced Formula: HfSc3Si8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -78.36277552
  • Final energy per atom: -6.530231293333333
  • 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.