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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173469

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-1173469
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 3
  • Element list: ['Sm', 'Th', 'F']
  • Chemical System: F-Sm-Th
  • Density: 6.749044611857371
  • Atomic Density: 0.06696691353370575
  • Unit Cell Volume: 522.6461569321665
  • Molar Volume: 8.99271064205302
  • Full Formula: Sm3 Th5 F27
  • Reduced Formula: Sm3Th5F27
  • Formula Anonymous: A3B5C27
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -251.9332042
  • Final energy per atom: -7.198091548571429
  • 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.