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  1. Third-Parties
  2. MatprojStructure
  3. mp-772036

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-772036
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 3
  • Element list: ['Y', 'Ta', 'O']
  • Chemical System: O-Ta-Y
  • Density: 8.057535592686074
  • Atomic Density: 0.07894632054411646
  • Unit Cell Volume: 684.0090789262806
  • Molar Volume: 7.628146211874094
  • Full Formula: Y2 Ta14 O38
  • Reduced Formula: YTa7O19
  • Formula Anonymous: AB7C19
  • Spacegroup Number: 188
  • Spacegroup Symbol: P-6c2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -551.45870683
  • Final energy per atom: -10.21219827462963
  • 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.