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  1. Third-Parties
  2. MatprojStructure
  3. mp-608254

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-608254
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Sm', 'Cl', 'F']
  • Chemical System: Cl-F-Sm
  • Density: 5.712255005536144
  • Atomic Density: 0.050387824859511245
  • Unit Cell Volume: 119.07638435929499
  • Molar Volume: 11.95157913005895
  • Full Formula: Sm2 Cl2 F2
  • Reduced Formula: SmClF
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -34.47060264
  • Final energy per atom: -5.745100440000001
  • 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.