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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223209

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-1223209
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Li', 'Pd', 'N', 'O']
  • Chemical System: Li-N-O-Pd
  • Density: 2.188890464541242
  • Atomic Density: 0.06662965173165676
  • Unit Cell Volume: 1020.5666431195252
  • Molar Volume: 9.038229382097745
  • Full Formula: Li8 Pd4 N16 O40
  • Reduced Formula: Li2Pd(N2O5)2
  • Formula Anonymous: AB2C4D10
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -413.1470738600001
  • Final energy per atom: -6.07569226264706
  • 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.