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  1. Third-Parties
  2. MatprojStructure
  3. mp-542493

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-542493
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['Sc', 'Co', 'Si']
  • Chemical System: Co-Sc-Si
  • Density: 4.32909057737821
  • Atomic Density: 0.0668140390088727
  • Unit Cell Volume: 568.7427457417103
  • Molar Volume: 9.013286502856502
  • Full Formula: Sc10 Co8 Si20
  • Reduced Formula: Sc5(Co2Si5)2
  • Formula Anonymous: A4B5C10
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -255.38161605
  • Final energy per atom: -6.720568843421052
  • 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.