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  1. Third-Parties
  2. MatprojStructure
  3. mp-557059

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-557059
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['Rb', 'Sn', 'S']
  • Chemical System: Rb-S-Sn
  • Density: 3.0518316053697716
  • Atomic Density: 0.03317052304468043
  • Unit Cell Volume: 2894.135852807891
  • Molar Volume: 18.155097379345584
  • Full Formula: Rb16 Sn16 S64
  • Reduced Formula: RbSnS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -432.06841961
  • Final energy per atom: -4.500712704270833
  • 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.