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  1. Third-Parties
  2. MatprojStructure
  3. mp-19864

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-19864
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ca', 'Fe', 'W', 'O']
  • Chemical System: Ca-Fe-O-W
  • Density: 5.396771846671788
  • Atomic Density: 0.07815583620303031
  • Unit Cell Volume: 127.94949789830633
  • Molar Volume: 7.705298865149249
  • Full Formula: Ca2 Fe1 W1 O6
  • Reduced Formula: Ca2FeWO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -80.59492791
  • Final energy per atom: -8.059492791
  • 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.