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  1. Third-Parties
  2. MatprojStructure
  3. mp-615776

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-615776
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Cs', 'Yb', 'F']
  • Chemical System: Cs-F-Yb
  • Density: 5.430980233871022
  • Atomic Density: 0.054380121955574304
  • Unit Cell Volume: 1029.7880546452075
  • Molar Volume: 11.074158246500021
  • Full Formula: Cs4 Yb12 F40
  • Reduced Formula: CsYb3F10
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -282.82839058
  • Final energy per atom: -5.0505069746428575
  • 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.