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  1. Third-Parties
  2. MatprojStructure
  3. mp-936295

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-936295
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 2
  • Element list: ['Ta', 'O']
  • Chemical System: O-Ta
  • Density: 15.14987691848759
  • Atomic Density: 0.05864497846948452
  • Unit Cell Volume: 443.34571652249656
  • Molar Volume: 10.268808885544354
  • Full Formula: Ta22 O4
  • Reduced Formula: Ta11O2
  • Formula Anonymous: A2B11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -47.05426175
  • Final energy per atom: -1.8097792980769232
  • 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.