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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173129

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-1173129
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 5
  • Element list: ['Ta', 'Zn', 'Fe', 'O', 'F']
  • Chemical System: F-Fe-O-Ta-Zn
  • Density: 5.782976381398361
  • Atomic Density: 0.07271429695409351
  • Unit Cell Volume: 288.80152706774936
  • Molar Volume: 8.281921179547318
  • Full Formula: Ta3 Zn1 Fe3 O12 F2
  • Reduced Formula: Ta3ZnFe3(O6F)2
  • Formula Anonymous: AB2C3D3E12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -177.94989184
  • Final energy per atom: -8.473804373333333
  • 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.