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  1. Third-Parties
  2. MatprojStructure
  3. mp-17857

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-17857
  • 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: 35
  • Number of elements: 3
  • Element list: ['Ta', 'V', 'O']
  • Chemical System: O-Ta-V
  • Density: 7.059905509394239
  • Atomic Density: 0.07155958336765296
  • Unit Cell Volume: 489.102903522787
  • Molar Volume: 8.41556151753978
  • Full Formula: Ta9 V1 O25
  • Reduced Formula: Ta9VO25
  • Formula Anonymous: AB9C25
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -353.67282952
  • Final energy per atom: -10.104937986285714
  • 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.