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  1. Third-Parties
  2. MatprojStructure
  3. mp-699489

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-699489
  • 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: 192
  • Number of elements: 5
  • Element list: ['Cs', 'Ti', 'H', 'S', 'O']
  • Chemical System: Cs-H-O-S-Ti
  • Density: 1.9613398191207163
  • Atomic Density: 0.09624317933391273
  • Unit Cell Volume: 1994.9465648247337
  • Molar Volume: 6.257213032319277
  • Full Formula: Cs4 Ti4 H96 S8 O80
  • Reduced Formula: CsTiH24(SO10)2
  • Formula Anonymous: ABC2D20E24
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1082.89728645
  • Final energy per atom: -5.64009003359375
  • 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.