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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196568

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-1196568
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 244
  • Number of elements: 7
  • Element list: ['Sm', 'H', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: C-F-H-N-O-S-Sm
  • Density: 2.1471690480511687
  • Atomic Density: 0.07297457948223433
  • Unit Cell Volume: 3343.630093262844
  • Molar Volume: 8.252381586475726
  • Full Formula: Sm4 H40 C24 S24 N12 O68 F72
  • Reduced Formula: SmH10C6S6N3O17F18
  • Formula Anonymous: AB3C6D6E10F17G18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1435.9013576799998
  • Final energy per atom: -5.884841629836065
  • 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.