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  1. Third-Parties
  2. MatprojStructure
  3. mp-21765

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-21765
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 2
  • Element list: ['Pd', 'Se']
  • Chemical System: Pd-Se
  • Density: 7.939871563298293
  • Atomic Density: 0.051112755265835016
  • Unit Cell Volume: 1252.1336341024669
  • Molar Volume: 11.78207030452405
  • Full Formula: Pd34 Se30
  • Reduced Formula: Pd17Se15
  • Formula Anonymous: A15B17
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -315.66847438
  • Final energy per atom: -4.9323199121875
  • 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.