Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-558073

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-558073
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Sb', 'Se', 'I', 'F']
  • Chemical System: F-I-Sb-Se
  • Density: 3.695145088873707
  • Atomic Density: 0.04534011464425065
  • Unit Cell Volume: 1411.5535547750433
  • Molar Volume: 13.282147183021378
  • Full Formula: Sb8 Se4 I8 F44
  • Reduced Formula: Sb2SeI2F11
  • Formula Anonymous: AB2C2D11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -283.98787827
  • Final energy per atom: -4.43731059796875
  • 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.