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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203242

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-1203242
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 5
  • Element list: ['K', 'Ga', 'H', 'C', 'F']
  • Chemical System: C-F-Ga-H-K
  • Density: 1.530401702863077
  • Atomic Density: 0.07994552878501977
  • Unit Cell Volume: 1501.0220311718754
  • Molar Volume: 7.5328049629817855
  • Full Formula: K8 Ga8 H72 C24 F8
  • Reduced Formula: KGaH9C3F
  • Formula Anonymous: ABCD3E9
  • Spacegroup Number: 219
  • Spacegroup Symbol: F-43c
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -574.26037076
  • Final energy per atom: -4.785503089666666
  • 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.