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  1. Third-Parties
  2. MatprojStructure
  3. mp-866637

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-866637
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['K', 'P', 'Pd', 'S']
  • Chemical System: K-P-Pd-S
  • Density: 2.4552614099138137
  • Atomic Density: 0.033962529424147826
  • Unit Cell Volume: 824.4380049058306
  • Molar Volume: 17.731720405130293
  • Full Formula: K4 P4 Pd4 S16
  • Reduced Formula: KPPdS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -139.04608399
  • Final energy per atom: -4.965931571071429
  • 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.