Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1188736

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-1188736
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Na', 'Pd', 'C', 'O']
  • Chemical System: C-Na-O-Pd
  • Density: 2.2422593435075564
  • Atomic Density: 0.06368792463487619
  • Unit Cell Volume: 266.9265814118022
  • Molar Volume: 9.45570262263219
  • Full Formula: Na2 Pd1 C4 O10
  • Reduced Formula: Na2Pd(C2O5)2
  • Formula Anonymous: AB2C4D10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -114.28768675
  • Final energy per atom: -6.722805102941177
  • 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.