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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219353

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-1219353
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Si', 'Te', 'P', 'Se']
  • Chemical System: P-Se-Si-Te
  • Density: 3.775215955492809
  • Atomic Density: 0.053704793295377695
  • Unit Cell Volume: 2010.993681811553
  • Molar Volume: 11.213413906796132
  • Full Formula: Si60 Te13 P32 Se3
  • Reduced Formula: Si60Te13P32Se3
  • Formula Anonymous: A3B13C32D60
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -560.30177684
  • Final energy per atom: -5.187979415185185
  • 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.