Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1212473

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-1212473
  • 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: 96
  • Number of elements: 4
  • Element list: ['K', 'P', 'Pd', 'O']
  • Chemical System: K-O-P-Pd
  • Density: 3.292590387296756
  • Atomic Density: 0.06483853802180278
  • Unit Cell Volume: 1480.6009347052022
  • Molar Volume: 9.287903373106559
  • Full Formula: K15 P16 Pd9 O56
  • Reduced Formula: K15P16Pd9O56
  • Formula Anonymous: A9B15C16D56
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -649.9752419499999
  • Final energy per atom: -6.770575436979166
  • 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.