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  1. Third-Parties
  2. MatprojStructure
  3. mp-29941

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-29941
  • 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: 3
  • Number of elements: 2
  • Element list: ['Sc', 'C']
  • Chemical System: C-Sc
  • Density: 3.1182969785364856
  • Atomic Density: 0.05527381761872079
  • Unit Cell Volume: 54.27524512046594
  • Molar Volume: 10.895105529964967
  • Full Formula: Sc2 C1
  • Reduced Formula: Sc2C
  • Formula Anonymous: AB2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -23.1616053
  • Final energy per atom: -7.7205351
  • 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.