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  1. Third-Parties
  2. MatprojStructure
  3. mp-865980

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-865980
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Cs', 'Ag', 'P', 'Se']
  • Chemical System: Ag-Cs-P-Se
  • Density: 4.344243435379738
  • Atomic Density: 0.03086146529775593
  • Unit Cell Volume: 777.668842630915
  • Molar Volume: 19.51346347912358
  • Full Formula: Cs4 Ag4 P4 Se12
  • Reduced Formula: CsAgPSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -96.58796945
  • Final energy per atom: -4.0244987270833334
  • 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.