Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1235164

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-1235164
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 6
  • Element list: ['Rb', 'Li', 'Cu', 'H', 'S', 'O']
  • Chemical System: Cu-H-Li-O-Rb-S
  • Density: 3.229305572511796
  • Atomic Density: 0.08272707116107088
  • Unit Cell Volume: 229.670889266788
  • Molar Volume: 7.279528545468266
  • Full Formula: Rb1 Li1 Cu2 H3 S2 O10
  • Reduced Formula: RbLiCu2H3(SO5)2
  • Formula Anonymous: ABC2D2E3F10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -110.10541939
  • Final energy per atom: -5.795022073157894
  • 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.