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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213821

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-1213821
  • 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: 36
  • Number of elements: 4
  • Element list: ['Cs', 'Tl', 'H', 'Cl']
  • Chemical System: Cl-Cs-H-Tl
  • Density: 3.461901790011711
  • Atomic Density: 0.02893477961829161
  • Unit Cell Volume: 1244.1774388785043
  • Molar Volume: 20.81281018706292
  • Full Formula: Cs8 Tl4 H4 Cl20
  • Reduced Formula: Cs2TlHCl5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -115.48703114
  • Final energy per atom: -3.2079730872222223
  • 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.