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  1. Third-Parties
  2. MatprojStructure
  3. mp-24181

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-24181
  • 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: 16
  • Number of elements: 5
  • Element list: ['Cs', 'Ga', 'P', 'H', 'O']
  • Chemical System: Cs-Ga-H-O-P
  • Density: 3.198516145532467
  • Atomic Density: 0.06750399708277376
  • Unit Cell Volume: 237.02300147324186
  • Molar Volume: 8.921161738934686
  • Full Formula: Cs1 Ga1 P3 H1 O10
  • Reduced Formula: CsGaP3HO10
  • Formula Anonymous: ABCD3E10
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -113.46926022
  • Final energy per atom: -7.09182876375
  • 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.