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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219411

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-1219411
  • 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: 27
  • Number of elements: 3
  • Element list: ['Sc', 'B', 'C']
  • Chemical System: B-C-Sc
  • Density: 3.4613796464462
  • Atomic Density: 0.07860157745490663
  • Unit Cell Volume: 343.50455645104296
  • Molar Volume: 7.6616029283316545
  • Full Formula: Sc12 B3 C12
  • Reduced Formula: Sc4BC4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -216.99898156
  • Final energy per atom: -8.036999317037036
  • 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.