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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201167

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-1201167
  • 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: 36
  • Number of elements: 4
  • Element list: ['Cs', 'Zr', 'Cu', 'F']
  • Chemical System: Cs-Cu-F-Zr
  • Density: 4.317165696767786
  • Atomic Density: 0.06033290447585822
  • Unit Cell Volume: 596.689324221166
  • Molar Volume: 9.98151972346983
  • Full Formula: Cs4 Zr2 Cu6 F24
  • Reduced Formula: Cs2ZrCu3F12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -190.03449375
  • Final energy per atom: -5.2787359375
  • 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.