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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219594

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-1219594
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Rb', 'Tl', 'Fe', 'Se']
  • Chemical System: Fe-Rb-Se-Tl
  • Density: 5.445854045226604
  • Atomic Density: 0.04314305584110451
  • Unit Cell Volume: 417.2166215182772
  • Molar Volume: 13.958540123303948
  • Full Formula: Rb1 Tl1 Fe8 Se8
  • Reduced Formula: RbTl(FeSe)8
  • Formula Anonymous: ABC8D8
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -108.5643959
  • Final energy per atom: -6.031355327777778
  • 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.