Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1225390

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-1225390
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Fe', 'Te', 'Pb', 'O']
  • Chemical System: Fe-O-Pb-Te
  • Density: 7.334123853208331
  • Atomic Density: 0.07108747353206586
  • Unit Cell Volume: 534.5526871602647
  • Molar Volume: 8.47145138346147
  • Full Formula: Fe4 Te4 Pb6 O24
  • Reduced Formula: Fe2Te2(PbO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -248.51374195
  • Final energy per atom: -6.5398353144736845
  • 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.