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  1. Third-Parties
  2. MatprojStructure
  3. mp-556120

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-556120
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Rb', 'Tl', 'S', 'O']
  • Chemical System: O-Rb-S-Tl
  • Density: 4.17988234085968
  • Atomic Density: 0.06267156246212308
  • Unit Cell Volume: 191.4744028801334
  • Molar Volume: 9.609048384009272
  • Full Formula: Rb1 Tl1 S2 O8
  • Reduced Formula: RbTl(SO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -73.26404719
  • Final energy per atom: -6.105337265833334
  • 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.