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  1. Third-Parties
  2. MatprojStructure
  3. mp-7819

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-7819
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['Pd', 'S']
  • Chemical System: Pd-S
  • Density: 9.933411845754353
  • Atomic Density: 0.06534249897088637
  • Unit Cell Volume: 153.03975448590575
  • Molar Volume: 9.216269433899658
  • Full Formula: Pd8 S2
  • Reduced Formula: Pd4S
  • Formula Anonymous: AB4
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -52.49505343
  • Final energy per atom: -5.249505343
  • 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.