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  1. Third-Parties
  2. MatprojStructure
  3. mp-709885

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-709885
  • 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: 112
  • Number of elements: 5
  • Element list: ['Rb', 'Li', 'H', 'S', 'O']
  • Chemical System: H-Li-O-Rb-S
  • Density: 2.689937205335994
  • Atomic Density: 0.0616200817517309
  • Unit Cell Volume: 1817.5892795996483
  • Molar Volume: 9.773016505014354
  • Full Formula: Rb16 Li4 H12 S16 O64
  • Reduced Formula: Rb4LiH3(SO4)4
  • Formula Anonymous: AB3C4D4E16
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -673.98244
  • Final energy per atom: -6.017700357142857
  • 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.