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  1. Third-Parties
  2. MatprojStructure
  3. mp-703308

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-703308
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Cs', 'Ga', 'P', 'H', 'O']
  • Chemical System: Cs-Ga-H-O-P
  • Density: 3.183917119037233
  • Atomic Density: 0.06719588776048001
  • Unit Cell Volume: 952.4392359861102
  • Molar Volume: 8.96206741321127
  • Full Formula: Cs4 Ga4 P12 H4 O40
  • Reduced Formula: CsGaP3HO10
  • Formula Anonymous: ABCD3E10
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -453.85311873
  • Final energy per atom: -7.09145498015625
  • 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.