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  1. Third-Parties
  2. MatprojStructure
  3. mp-11321

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-11321
  • 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: 22
  • Number of elements: 3
  • Element list: ['Y', 'Ta', 'O']
  • Chemical System: O-Ta-Y
  • Density: 6.158510118655873
  • Atomic Density: 0.0728943763018411
  • Unit Cell Volume: 301.80654689879475
  • Molar Volume: 8.26146139870038
  • Full Formula: Y6 Ta2 O14
  • Reduced Formula: Y3TaO7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -216.23567761
  • Final energy per atom: -9.828894436818182
  • 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.