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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046286

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-1046286
  • 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: 26
  • Number of elements: 4
  • Element list: ['Ca', 'Ta', 'W', 'O']
  • Chemical System: Ca-O-Ta-W
  • Density: 7.405996050909242
  • Atomic Density: 0.07690799680709437
  • Unit Cell Volume: 338.06627502228264
  • Molar Volume: 7.830318055357916
  • Full Formula: Ca4 Ta4 W2 O16
  • Reduced Formula: Ca2Ta2WO8
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -236.40568974
  • Final energy per atom: -9.092526528461539
  • 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.