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  1. Third-Parties
  2. MatprojStructure
  3. mp-676727

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-676727
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 59
  • Number of elements: 3
  • Element list: ['Sr', 'Th', 'Cl']
  • Chemical System: Cl-Sr-Th
  • Density: 3.2192348334397605
  • Atomic Density: 0.035441639535118266
  • Unit Cell Volume: 1664.708539838805
  • Molar Volume: 16.991710425903985
  • Full Formula: Sr18 Th1 Cl40
  • Reduced Formula: Sr18ThCl40
  • Formula Anonymous: AB18C40
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -277.87063872
  • Final energy per atom: -4.709671842711864
  • 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.