Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-14673

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-14673
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 208
  • Number of elements: 3
  • Element list: ['F', 'S', 'Sb']
  • Chemical System: F-S-Sb
  • Density: 3.5125149691966095
  • Atomic Density: 0.055975958320583455
  • Unit Cell Volume: 3715.8810003528665
  • Molar Volume: 10.75844155362239
  • Full Formula: Sb36 S16 F156
  • Reduced Formula: Sb9S4F39
  • Formula Anonymous: A4B9C39
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1032.4713683999998
  • Final energy per atom: -4.96380465576923
  • 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.