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  1. Third-Parties
  2. MatprojStructure
  3. mp-23186

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-23186
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 2
  • Element list: ['Sc', 'Cl']
  • Chemical System: Cl-Sc
  • Density: 2.702555045069483
  • Atomic Density: 0.04178039858540587
  • Unit Cell Volume: 454.75870607507335
  • Molar Volume: 14.413794420102942
  • Full Formula: Sc7 Cl12
  • Reduced Formula: Sc7Cl12
  • Formula Anonymous: A7B12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -107.51210558
  • Final energy per atom: -5.6585318726315785
  • 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.