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  1. Third-Parties
  2. MatprojStructure
  3. mp-616023

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-616023
  • 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: 34
  • Number of elements: 3
  • Element list: ['Cs', 'Fe', 'F']
  • Chemical System: Cs-F-Fe
  • Density: 4.348726293321645
  • Atomic Density: 0.05007158506640773
  • Unit Cell Volume: 679.0278349468526
  • Molar Volume: 12.02706235884704
  • Full Formula: Cs8 Fe6 F20
  • Reduced Formula: Cs4Fe3F10
  • Formula Anonymous: A3B4C10
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -190.77243414
  • Final energy per atom: -5.610953945294118
  • 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.