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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217800

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-1217800
  • 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: 46
  • Number of elements: 3
  • Element list: ['Ta', 'Mo', 'O']
  • Chemical System: Mo-O-Ta
  • Density: 7.1004675941355515
  • Atomic Density: 0.0703668440715737
  • Unit Cell Volume: 653.716968650904
  • Molar Volume: 8.558207831339677
  • Full Formula: Ta12 Mo1 O33
  • Reduced Formula: Ta12MoO33
  • Formula Anonymous: AB12C33
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -465.35787912
  • Final energy per atom: -10.116475633043478
  • 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.