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  1. Third-Parties
  2. MatprojStructure
  3. mp-672351

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-672351
  • 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: 38
  • Number of elements: 2
  • Element list: ['Sm', 'Br']
  • Chemical System: Br-Sm
  • Density: 5.61982774094554
  • Atomic Density: 0.03313001725878483
  • Unit Cell Volume: 1146.9960822288383
  • Molar Volume: 18.177294364080524
  • Full Formula: Sm12 Br26
  • Reduced Formula: Sm6Br13
  • Formula Anonymous: A6B13
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -172.03415808000003
  • Final energy per atom: -4.52721468631579
  • 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.