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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224636

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-1224636
  • 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: 80
  • Number of elements: 6
  • Element list: ['K', 'Rb', 'Te', 'H', 'S', 'O']
  • Chemical System: H-K-O-Rb-S-Te
  • Density: 3.023774029833038
  • Atomic Density: 0.07885242790150904
  • Unit Cell Volume: 1014.5534148919846
  • Molar Volume: 7.637229341272765
  • Full Formula: K3 Rb5 Te4 H24 S4 O40
  • Reduced Formula: K3Rb5Te4H24(SO10)4
  • Formula Anonymous: A3B4C4D5E24F40
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -449.18345122
  • Final energy per atom: -5.61479314025
  • 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.