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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198575

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-1198575
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Rb', 'La', 'Cl', 'O']
  • Chemical System: Cl-La-O-Rb
  • Density: 2.8164962905114086
  • Atomic Density: 0.031801231567488285
  • Unit Cell Volume: 2264.0632595376774
  • Molar Volume: 18.936816164555978
  • Full Formula: Rb18 La6 Cl36 O12
  • Reduced Formula: Rb3La(Cl3O)2
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -284.11715551
  • Final energy per atom: -3.9460716043055553
  • 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.