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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229170

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-1229170
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cs', 'K', 'Si', 'F']
  • Chemical System: Cs-F-K-Si
  • Density: 3.7609789597991665
  • Atomic Density: 0.053465536372538015
  • Unit Cell Volume: 411.48002045108177
  • Molar Volume: 11.263593650382244
  • Full Formula: Cs4 K2 Si2 F14
  • Reduced Formula: Cs2KSiF7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -116.44097699
  • Final energy per atom: -5.292771681363636
  • 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.