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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204542

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-1204542
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 5
  • Element list: ['Co', 'H', 'Pd', 'N', 'Cl']
  • Chemical System: Cl-Co-H-N-Pd
  • Density: 2.238352391543096
  • Atomic Density: 0.08508088444405444
  • Unit Cell Volume: 1269.380316221515
  • Molar Volume: 7.078136057647476
  • Full Formula: Co4 H60 Pd4 N20 Cl20
  • Reduced Formula: CoH15Pd(NCl)5
  • Formula Anonymous: ABC5D5E15
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -531.65831813
  • Final energy per atom: -4.922762204907407
  • 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.