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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202705

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-1202705
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Cs', 'Ga', 'H', 'C', 'F']
  • Chemical System: C-Cs-F-Ga-H
  • Density: 2.250964860738233
  • Atomic Density: 0.06009270528560951
  • Unit Cell Volume: 798.7658364166646
  • Molar Volume: 10.0214172941256
  • Full Formula: Cs4 Ga4 H24 C8 F8
  • Reduced Formula: CsGaH6(CF)2
  • Formula Anonymous: ABC2D2E6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -232.17263682000004
  • Final energy per atom: -4.8369299337500005
  • 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.