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  1. Third-Parties
  2. MatprojStructure
  3. mp-849326

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-849326
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['Ta', 'Ag', 'O']
  • Chemical System: Ag-O-Ta
  • Density: 8.338261793946282
  • Atomic Density: 0.07738086390110598
  • Unit Cell Volume: 1240.616803176165
  • Molar Volume: 7.782467727029251
  • Full Formula: Ta24 Ag8 O64
  • Reduced Formula: Ta3AgO8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -906.88295556
  • Final energy per atom: -9.44669745375
  • 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.