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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195183

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-1195183
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 69
  • Number of elements: 5
  • Element list: ['H', 'Pd', 'Pt', 'C', 'O']
  • Chemical System: C-H-O-Pd-Pt
  • Density: 2.1372594768385786
  • Atomic Density: 0.0760875087815868
  • Unit Cell Volume: 906.8505606888529
  • Molar Volume: 7.914756122830716
  • Full Formula: H26 Pd4 Pt1 C22 O16
  • Reduced Formula: H26Pd4Pt(C11O8)2
  • Formula Anonymous: AB4C16D22E26
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -440.4149999600001
  • Final energy per atom: -6.382826086376813
  • 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.