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  1. Third-Parties
  2. MatprojStructure
  3. mp-28733

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-28733
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 2
  • Element list: ['Sc', 'C']
  • Chemical System: C-Sc
  • Density: 3.5619731885787798
  • Atomic Density: 0.08209200563857205
  • Unit Cell Volume: 852.701788139886
  • Molar Volume: 7.335843134974418
  • Full Formula: Sc30 C40
  • Reduced Formula: Sc3C4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -587.66162565
  • Final energy per atom: -8.395166080714286
  • 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.