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  1. Third-Parties
  2. MatprojStructure
  3. mp-8996

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-8996
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Sc', 'Ru', 'C']
  • Chemical System: C-Ru-Sc
  • Density: 5.0551452675722075
  • Atomic Density: 0.0857602335790734
  • Unit Cell Volume: 93.28332801966741
  • Molar Volume: 7.022066648696114
  • Full Formula: Sc3 Ru1 C4
  • Reduced Formula: Sc3RuC4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -68.92604631
  • Final energy per atom: -8.61575578875
  • 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.