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  1. Third-Parties
  2. MatprojStructure
  3. mp-574571

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-574571
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Rb', 'Y', 'Cl']
  • Chemical System: Cl-Rb-Y
  • Density: 2.737528006847311
  • Atomic Density: 0.02954296407097303
  • Unit Cell Volume: 1353.960283196545
  • Molar Volume: 20.384348522147643
  • Full Formula: Rb12 Y4 Cl24
  • Reduced Formula: Rb3YCl6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -182.16576215
  • Final energy per atom: -4.55414405375
  • 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.