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  1. Third-Parties
  2. MatprojStructure
  3. mp-1395287

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-1395287
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'W', 'F']
  • Chemical System: Ca-F-W
  • Density: 5.517311576466899
  • Atomic Density: 0.06647163802336775
  • Unit Cell Volume: 180.52812232160525
  • Molar Volume: 9.059714697993373
  • Full Formula: Ca2 W2 F8
  • Reduced Formula: CaWF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -80.13495833
  • Final energy per atom: -6.677913194166667
  • 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.