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  1. Third-Parties
  2. MatprojStructure
  3. mp-863412

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-863412
  • 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', 'Cr', 'O']
  • Chemical System: Cr-O-Ta
  • Density: 7.785144546698834
  • Atomic Density: 0.08255930876465362
  • Unit Cell Volume: 423.9376579541405
  • Molar Volume: 7.294320713327338
  • Full Formula: Ta8 Cr3 O24
  • Reduced Formula: Ta8Cr3O24
  • Formula Anonymous: A3B8C24
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -349.11084186
  • Final energy per atom: -9.974595481714285
  • 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.