Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1333616

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-1333616
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 4
  • Element list: ['Fe', 'Si', 'Sb', 'O']
  • Chemical System: Fe-O-Sb-Si
  • Density: 4.5198058520775115
  • Atomic Density: 0.08311628751287918
  • Unit Cell Volume: 541.4101296695558
  • Molar Volume: 7.245440021688705
  • Full Formula: Fe13 Si2 Sb2 O28
  • Reduced Formula: Fe13Si2(SbO14)2
  • Formula Anonymous: A2B2C13D28
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -319.49013591000005
  • Final energy per atom: -7.099780798000001
  • 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.