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  1. Third-Parties
  2. MatprojStructure
  3. mp-1378479

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-1378479
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Ta', 'Mn', 'Zn', 'O']
  • Chemical System: Mn-O-Ta-Zn
  • Density: 7.098357319273027
  • Atomic Density: 0.08310872788736177
  • Unit Cell Volume: 601.6215296637146
  • Molar Volume: 7.246099071762809
  • Full Formula: Ta8 Mn4 Zn6 O32
  • Reduced Formula: Ta4Mn2Zn3O16
  • Formula Anonymous: A2B3C4D16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -430.72084294
  • Final energy per atom: -8.6144168588
  • 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.