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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211268

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-1211268
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 5
  • Element list: ['Rb', 'Te', 'H', 'S', 'O']
  • Chemical System: H-O-Rb-S-Te
  • Density: 2.6718755097254294
  • Atomic Density: 0.04449918198506186
  • Unit Cell Volume: 2606.7894919717983
  • Molar Volume: 13.533149355468156
  • Full Formula: Rb16 Te8 H12 S32 O48
  • Reduced Formula: Rb4Te2H3(S2O3)4
  • Formula Anonymous: A2B3C4D8E12
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -575.24737168
  • Final energy per atom: -4.959029066206897
  • 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.