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  1. Third-Parties
  2. MatprojStructure
  3. mp-541024

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-541024
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Cs', 'Tm', 'P', 'H', 'O']
  • Chemical System: Cs-H-O-P-Tm
  • Density: 2.923353836544134
  • Atomic Density: 0.08731851508703022
  • Unit Cell Volume: 824.5673890381407
  • Molar Volume: 6.8967512262407835
  • Full Formula: Cs2 Tm2 P8 H24 O36
  • Reduced Formula: CsTmP4(H2O3)6
  • Formula Anonymous: ABC4D12E18
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -464.54016319
  • Final energy per atom: -6.451946710972222
  • 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.