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  1. Third-Parties
  2. MatprojStructure
  3. mp-623098

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-623098
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Fe', 'W', 'O']
  • Chemical System: Ca-Fe-O-W
  • Density: 5.528427985178561
  • Atomic Density: 0.0800624751880755
  • Unit Cell Volume: 249.8049173850523
  • Molar Volume: 7.52180187516478
  • Full Formula: Ca4 Fe2 W2 O12
  • Reduced Formula: Ca2FeWO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -160.27681561000003
  • Final energy per atom: -8.0138407805
  • 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.