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  1. Third-Parties
  2. MatprojStructure
  3. mp-567443

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-567443
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 69
  • Number of elements: 3
  • Element list: ['Sc', 'Si', 'Ni']
  • Chemical System: Ni-Sc-Si
  • Density: 6.137003804228188
  • Atomic Density: 0.07865253427767528
  • Unit Cell Volume: 877.2762458791483
  • Molar Volume: 7.656639185635654
  • Full Formula: Sc12 Si21 Ni36
  • Reduced Formula: Sc4Si7Ni12
  • Formula Anonymous: A4B7C12
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -446.30669521
  • Final energy per atom: -6.468212974057971
  • 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.