Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1220862

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-1220862
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Fe', 'Te', 'O']
  • Chemical System: Al-Fe-Na-O-Te
  • Density: 4.3341485881406605
  • Atomic Density: 0.08151397502113356
  • Unit Cell Volume: 981.4268041677389
  • Molar Volume: 7.387862950418847
  • Full Formula: Na12 Al6 Fe6 Te8 O48
  • Reduced Formula: Na6Al3Fe3(TeO6)4
  • Formula Anonymous: A3B3C4D6E24
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -517.70791421
  • Final energy per atom: -6.471348927625
  • 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.