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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223362

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-1223362
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['La', 'Ta', 'W', 'O']
  • Chemical System: La-O-Ta-W
  • Density: 7.562469846137401
  • Atomic Density: 0.07338735715043045
  • Unit Cell Volume: 599.5583123372078
  • Molar Volume: 8.205964888006157
  • Full Formula: La7 Ta3 W4 O30
  • Reduced Formula: La7Ta3(W2O15)2
  • Formula Anonymous: A3B4C7D30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -414.26273814
  • Final energy per atom: -9.415062230454545
  • 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.