Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1192085

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-1192085
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cs', 'Cu', 'Sb', 'Se']
  • Chemical System: Cs-Cu-Sb-Se
  • Density: 4.871488463243995
  • Atomic Density: 0.03129339743351863
  • Unit Cell Volume: 703.0236984251383
  • Molar Volume: 19.244125770599876
  • Full Formula: Cs4 Cu4 Sb4 Se10
  • Reduced Formula: Cs2Cu2Sb2Se5
  • Formula Anonymous: A2B2C2D5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -88.21359697999999
  • Final energy per atom: -4.0097089536363635
  • 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.