Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1226687

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-1226687
  • 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: 34
  • Number of elements: 3
  • Element list: ['Cs', 'Sb', 'Se']
  • Chemical System: Cs-Sb-Se
  • Density: 4.670441278393756
  • Atomic Density: 0.027828836997611926
  • Unit Cell Volume: 1221.7542545136773
  • Molar Volume: 21.639929690618327
  • Full Formula: Cs6 Sb10 Se18
  • Reduced Formula: Cs3Sb5Se9
  • Formula Anonymous: A3B5C9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -137.91860845000002
  • Final energy per atom: -4.0564296602941186
  • 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.