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  1. Third-Parties
  2. MatprojStructure
  3. mp-721253

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-721253
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Li', 'Si', 'P', 'Se']
  • Chemical System: Li-P-Se-Si
  • Density: 3.187582603777906
  • Atomic Density: 0.04335300889578677
  • Unit Cell Volume: 1153.3224861091294
  • Molar Volume: 13.890940706044644
  • Full Formula: Li20 Si2 P4 Se24
  • Reduced Formula: Li10Si(PSe6)2
  • Formula Anonymous: AB2C10D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -208.5486741
  • Final energy per atom: -4.170973482
  • 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.