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  1. Third-Parties
  2. MatprojStructure
  3. mp-10223

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-10223
  • 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: 3
  • Element list: ['Na', 'Pd', 'S']
  • Chemical System: Na-Pd-S
  • Density: 3.4927158045315823
  • Atomic Density: 0.04856987724796315
  • Unit Cell Volume: 205.8889288302528
  • Molar Volume: 12.398921103414045
  • Full Formula: Na4 Pd2 S4
  • Reduced Formula: Na2PdS2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -42.54525344999999
  • Final energy per atom: -4.254525344999999
  • 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.