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  1. Third-Parties
  2. MatprojStructure
  3. mp-1350637

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-1350637
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 69
  • Number of elements: 4
  • Element list: ['H', 'Pd', 'C', 'O']
  • Chemical System: C-H-O-Pd
  • Density: 1.9706378676822849
  • Atomic Density: 0.07592305682847626
  • Unit Cell Volume: 908.8148302021522
  • Molar Volume: 7.931899756888202
  • Full Formula: H26 Pd5 C22 O16
  • Reduced Formula: H26Pd5(C11O8)2
  • Formula Anonymous: A5B16C22D26
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -282.86922192000003
  • Final energy per atom: -4.099553940869566
  • 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.